Exact Mass: 194.0492

Exact Mass Matches: 194.0492

Found 500 metabolites which its exact mass value is equals to given mass value 194.0492, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Ferulic acid

(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C10H10O4 (194.0579)


trans-Ferulic acid is a highly abundant phenolic phytochemical which is present in plant cell walls. Ferulic acid is a phenolic acid that can be absorbed by the small intestine and excreted through the urine. It is one of the most abundant phenolic acids in plants, varying from 5 g/kg in wheat bran to 9 g/kg in sugar-beet pulp and 50 g/kg in corn kernel. It occurs primarily in seeds and leaves both in its free form (albeit rarely) and covalently linked to lignin and other biopolymers. It is usually found as ester cross-links with polysaccharides in the cell wall, such as arabinoxylans in grasses, pectin in spinach and sugar beet, and xyloglucans in bamboo. It also can cross-link with proteins. Due to its phenolic nucleus and an extended side chain conjugation (carbohydrates and proteins), it readily forms a resonance-stabilized phenoxy radical which accounts for its potent antioxidant potential. Food supplementation with curcumin and ferulic acid is considered a nutritional approach to reducing oxidative damage and amyloid pathology in Alzheimer disease (PMID:17127365, 1398220, 15453708, 9878519). Ferulic acid can be found in Pseudomonas and Saccharomyces (PMID:8395165). Ferulic acid is a ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. It has a role as an antioxidant, a MALDI matrix material, a plant metabolite, an anti-inflammatory agent, an apoptosis inhibitor and a cardioprotective agent. It is a conjugate acid of a ferulate. Ferulic acid is a natural product found in Haplophyllum griffithianum, Visnea mocanera, and other organisms with data available. Ferulic acid is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Angelica sinensis root (part of). Widely distributed in plants, first isolated from Ferula foetida (asafoetida). Antioxidant used to inhibit oxidn. of fats, pastry products, etc. Antifungal agent used to prevent fruit spoilage. trans-Ferulic acid is found in many foods, some of which are deerberry, peach, shea tree, and common bean. A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D000975 - Antioxidants > D016166 - Free Radical Scavengers D006401 - Hematologic Agents > D000925 - Anticoagulants D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID H074 (E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1]. (E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1]. Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively. Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively.

   

kakoul

1-(6-hydroxybenzo[d][1,3]dioxol-5-yl)propan-1-one

C10H10O4 (194.0579)


Kakuol is a member of benzodioxoles. Kakuol is a natural compound with antifungal activity[1]. Kakuol is a natural compound with antifungal activity[1].

   

Dimethyl phthalate

1,2-dimethyl benzene-1,2-dicarboxylate

C10H10O4 (194.0579)


CONFIDENCE standard compound; INTERNAL_ID 978; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10088; ORIGINAL_PRECURSOR_SCAN_NO 10085 ORIGINAL_ACQUISITION_NO 10088; CONFIDENCE standard compound; INTERNAL_ID 978; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 10085 CONFIDENCE standard compound; INTERNAL_ID 978; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10066; ORIGINAL_PRECURSOR_SCAN_NO 10061 CONFIDENCE standard compound; INTERNAL_ID 978; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10132; ORIGINAL_PRECURSOR_SCAN_NO 10128 CONFIDENCE standard compound; INTERNAL_ID 978; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10163; ORIGINAL_PRECURSOR_SCAN_NO 10160 P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents D010575 - Pesticides > D007302 - Insect Repellents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3673 CONFIDENCE standard compound; INTERNAL_ID 195 D020011 - Protective Agents D016573 - Agrochemicals D005404 - Fixatives ATC code: P03BX02

   

Isoferulic acid

(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

C10H10O4 (194.0579)


Isoferulic acid (CAS: 537-73-5) is a chlorogenic acid (CGA). CGAs are formed by the esterification of hydroxycinnamic acids (e.g. caffeic acid, ferulic acid, and p-coumaric acid) with quinic acid. CGAs are abundant phenolic compounds in coffee, with caffeoylquinic (CQA), feruloylquinic (FQA), and dicaffeoylquinic (diCQA) acids being the major subclasses, and coffee is the most consumed food product in the world. Isoferulic acid is present in normal human urine in concentrations of 0.05-2.07 umol/mmol creatinine at baseline, and reaches 0.2-9.6 umol/mmol creatinine in four hours after a cup of coffee, with a large inter-individual variation (PMID:17884997). It is used as a food additive; listed in the EAFUS Food Additive Database (Jan 2001) KEIO_ID I024 Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. trans-Isoferulic acid (trans-3-Hydroxy-4-methoxycinnamic acid) is an aromatic acid isolated from the roots of Clematis florida var. plena. trans-Isoferulic acid exhibits anti-inflammatory activity[1].trans-isoferulic acid suppresses NO and PGE2 production through the induction of Nrf2-dependent heme oxygenase-1 (HO-1)[2]. trans-Isoferulic acid (trans-3-Hydroxy-4-methoxycinnamic acid) is an aromatic acid isolated from the roots of Clematis florida var. plena. trans-Isoferulic acid exhibits anti-inflammatory activity[1].trans-isoferulic acid suppresses NO and PGE2 production through the induction of Nrf2-dependent heme oxygenase-1 (HO-1)[2].

   

D-Glucuronate

(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

C6H10O7 (194.0427)


Glucuronic acid (CAS: 6556-12-3) is a carboxylic acid that has the structure of a glucose molecule that has had its sixth carbon atom (of six total) oxidized. The salts of glucuronic acid are known as glucuronates. Glucuronic acid is highly soluble in water. In humans, glucuronic acid is often linked to toxic or poisonous substances to allow for subsequent elimination, and to hormones to allow for easier transport. These linkages involve O-glycosidic bonds. The process is known as glucuronidation, and the resulting substances are known as glucuronides (or glucuronosides). Glucuronidation uses UDP-glucuronic acid (glucuronic acid linked via a glycosidic bond to uridine diphosphate) as an intermediate. UDP-glucuronic acid is formed in the liver of all animals. D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1]. D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1].

   

Methyl caffeate

Methyl 3,4-dihydroxycinnamate

C10H10O4 (194.0579)


Methyl caffeate, an antimicrobial agent, shows moderate antimicrobial and prominent antimycobacterial activities. Methyl caffeate also exhibits α-glucosidase inhibition activity, oxidative stress inhibiting activity, anti-platelet activity, antiproliferative activity in cervix adenocarcinoma and anticancer activity in lung and leukmia cell lines[1]. Methyl caffeate, an antimicrobial agent, shows moderate antimicrobial and prominent antimycobacterial activities. Methyl caffeate also exhibits α-glucosidase inhibition activity, oxidative stress inhibiting activity, anti-platelet activity, antiproliferative activity in cervix adenocarcinoma and anticancer activity in lung and leukmia cell lines[1].

   

2-Keto-L-gluconate

(3S,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid

C6H10O7 (194.0427)


2-Keto-L-gluconate is a derivative of gluconic acid, which occurs naturally in fruit, honey and wine and is used as a food additive, an acidity regulator. It is also used in cleaning products where it helps cleaning up mineral deposits. It is a strong chelating agent, especially in alkaline solution. It chelates the anions of calcium, iron, aluminium, copper, and other heavy metals. [HMDB] 2-Keto-L-gluconate is a derivative of gluconic acid, which occurs naturally in fruit, honey and wine and is used as a food additive, an acidity regulator. It is also used in cleaning products where it helps cleaning up mineral deposits. It is a strong chelating agent, especially in alkaline solution. It chelates the anions of calcium, iron, aluminium, copper, and other heavy metals.

   

5-Keto-D-gluconate

2,3,4,6-tetrahydroxy-5-oxohexanoic acid

C6H10O7 (194.0427)


5-Keto-D-gluconate is metabolized from glucose in certain bacterial species. It is an intermediate in L-idonate degradation and ketogluconate metabolism. 5-Keto-D-gluconate 5-reductase catalyzes the reversible reduction of 5-ketogluconate to D-gluconate. This is the second reaction of the L-idonate catabolic pathway after uptake of L-idonate into the cell. The enzyme specifically reduces 5-ketogluconate using either NADH or NADPH. The enzyme is also specific for D-gluconate oxidation using NADP as the coenzyme, NAD does not serve as a coenzyme. 5-Keto-D-gluconate has also been found to be a metabolite of Gluconobacter (https://www.sciencedirect.com/science/article/pii/S138111779800112X). 5-Keto-D-gluconate is metabolized from glucose in certain bacterial species. It is an intermediate in L-idonate degradation and ketogluconate metabolism. 5-Keto-D-gluconate 5-reductase catalyzes the reversible reduction of 5-ketogluconate to D-gluconate. This is the second reaction of the L-idonate catabolic pathway after uptake of L-idonate into the cell. The enzyme specifically reduces 5-ketogluconate using either NADH or NADPH. The enzyme is also specific for D-gluconate oxidation using NADP as the coenzyme, NAD does not serve as a coenzyme. [HMDB]

   

Galacturonic acid

2S,3R,4R,5S-tetrahydroxy-6-oxo-hexanoic acid

C6H10O7 (194.0427)


D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1]. D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1].

   

Tagaturonate

(2S,3R,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid

C6H10O7 (194.0427)


   

3-Dehydro-L-gulonate

(2S,4R,5S)-2,4,5,6-tetrahydroxy-3-oxohexanoic acid

C6H10O7 (194.0427)


3-Dehydro-L-gulonate is an intermediate in Ascorbate and aldarate metabolism. 3-Dehydro-L-gulonate is the 4th to last step in the synthesis of D-Xylulose 5-phosphate and is converted from 2,3-Diketo-L-gulonate via the enzyme 3-dehydro-L-gulonate 2-dehydrogenase (EC 1.1.1.130). It is then converted to 3-Dehydro-L-gulonate 6-phosphate via the enzyme L-xylulokinase (EC 2.7.1.53). [HMDB] 3-Dehydro-L-gulonate is an intermediate in Ascorbate and aldarate metabolism. 3-Dehydro-L-gulonate is the 4th to last step in the synthesis of D-Xylulose 5-phosphate and is converted from 2,3-Diketo-L-gulonate via the enzyme 3-dehydro-L-gulonate 2-dehydrogenase (EC 1.1.1.130). It is then converted to 3-Dehydro-L-gulonate 6-phosphate via the enzyme L-xylulokinase (EC 2.7.1.53).

   

Scytalone

3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone

C10H10O4 (194.0579)


   

6-Hydroxymellein

Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-methyl-

C10H10O4 (194.0579)


   

2,4,8-Trihydroxy-1-tetralone

2,4,8-Trihydroxy-1-tetralone

C10H10O4 (194.0579)


   

5-Hydroxyconiferaldehyde

5-Hydroxyconiferyl aldehyde

C10H10O4 (194.0579)


   
   

7-carboxy-7-deazaguanine

7-carboxy-7-deazaguanine

C7H6N4O3 (194.044)


   

Galacturonic acid

(2S,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoic acid

C6H10O7 (194.0427)


Galacturonic acid, also known as D-galacturonate or (2s,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexanoate, belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Galacturonic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Galacturonic acid can be found in a number of food items such as sunflower, white mustard, okra, and date, which makes galacturonic acid a potential biomarker for the consumption of these food products. Galacturonic acid can be found primarily in feces. Galacturonic acid exists in all living species, ranging from bacteria to humans. D-Galacturonic acid is a sugar acid, an oxidized form of D-galactose. It is the main component of pectin, in which it exists as the polymer polygalacturonic acid. In its open form, it has an aldehyde group at C1 and a carboxylic acid group at C6. Other oxidized forms of D-galactose are D-galactonic acid (carboxylic group at C1) and meso-galactaric acid (mucic acid) (carboxylic groups at C1 and C6). It is also a uronic acid or hexuronic acid. Naturally occurring uronic acids are D-glucuronic acid, D-galacturonic acid, L-iduronic acid and D-mannuronic acid . Galactopyranuronic acid is the pyranose form of D-galacturonic acid. It is a conjugate acid of a D-galactopyranuronate. Galacturonic acid is a sugar acid, an oxidized form of d-galactose. It is the main component of pectin, in which it exists as the polymer polygalacturonic acid. In its open form, it has an aldehyde group at C1 and a carboxylic acid group at C6. Other oxidized forms of d-galactose are d-galactonic acid (carboxylic group at C1) and meso-galactaric acid (mucic acid) (carboxylic groups at C1 and C6). It is also a uronic acid or hexuronic acid. Naturally occurring uronic acids are d-glucuronic acid, d-galacturonic acid, l-iduronic acid and d-mannuronic acid. Galacturonic acid, also known as D-galacturonate or sodium pectate, belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Galacturonic acid exists in all living species, ranging from bacteria to humans. Galacturonic acid has been found in flaxseeds. Galacturonic acid has also been detected, but not quantified in several different foods, such as common grapes, cocoa beans, roselles, cow milk, and figs. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Iduronic acid

(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

C6H10O7 (194.0427)


Iduronic acid is a constituent of glycosaminoglycans heparin and heparan sulfate in varying proportions providing considerable diversity in sequence and biological function. The glycosaminoglycans (GAGs) are linear polysaccharides with alternating uronic acids (Iduronic acid and Glucuronic acid) and hexosamine residues, in which a limited set of monosaccharide units gives rise to a number of complex sequences by variable substitution with O-sulfate, N-sulfate, and N-acetyl groups. GAGs usually exist as the O-linked side-chains of proteoglycans, displaying a set of physiological functions which is remarkably wide and as yet incompletely explored. They may act as structural components of connective tissue and the extracellular matrix, or as specific ligands in the relationship between the cell surface and its surroundings. Heparan sulfate exists on the surface of most or all mammalian cells and can display a remarkable range of different sequence motifs; its range of interactions and possible functions reflect its structural complexity. The main repeat unit of heparin structurally resembles the protein binding sequences in heparan sulfate, but contains a higher percentage of sulfated residues. Utilized therapeutically as an anticoagulant and readily available in good quantities heparin serves as a useful model for heparan sulfate. Theoretical and experimental studies indicate that L-Iduronic acid residues of glycosaminoglycans are in equilibrium of different conformations, the relative proportion of conformers being a function of sulfation pattern and sequence. This unique conformational flexibility may provide an explanation for the stronger binding and associated higher biological activities of Iduronic acid-containing glycosaminoglycans (such as heparin, heparan sulfate and dermatan sulfate) as compared with other GAGs having similar charge density but with the more rigid glucuronic acid as the major uronic acid residue. Dermatan sulfates and heparins, which contain L-Iduronic acid in their backbone, show higher low-density lipoprotein (LDL)-affinity than chondroitin sulfates, which contain only D-glucuronic acid. Though confirming a non-specific, predominantly electrostatic interaction between GAGs and LDL, these results indicate modulation of LDL affinity by the polysaccharide backbone. Naturally oversulfated dermatan sulfate (SO3H/COOH ca. 1.2), mainly oversulfated at C-2 of Iduronic acid residues, show comparatively higher anticoagulant activity. (PMID: 3076283, 8466951, 8542607, 11087707). Iduronic acid is a constituent of glycosaminoglycans heparin and heparan sulfate in varying proportions providing considerable diversity in sequence and biological function.

   

GALACTURONIC ACID

2S,3R,4S,5R-tetrahydroxy-6-oxohexanoic acid

C6H10O7 (194.0427)


Acquisition and generation of the data is financially supported in part by CREST/JST.

   

2-oxogluconic acid

2-dehydro-D-gluconic acid

C6H10O7 (194.0427)


A ketoaldonic acid that is D-gluconic acid in which the hydroxy group at position 2 has been oxidised to a keto group.

   

6-METHYLDIOSGENIN

beta-D-Galactopyranuronic acid

C6H10O7 (194.0427)


COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials A D-galactopyranuronic acid with a beta-configuration at the anomeric center. Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

D-Mannuronic acid

D-Mannopyranuronic acid

C6H10O7 (194.0427)


   

D-Fructuronic acid

D-fructofuranuronic acid

C6H10O7 (194.0427)


   

D-Alluronic Acid

D-Alluronic Acid

C6H10O7 (194.0427)


   

D-Taluronic Acid

D-Taluronic Acid

C6H10O7 (194.0427)


   

D-Guluronic Acid

D-Guluronic Acid

C6H10O7 (194.0427)


   

L-Alturonic Acid

L-Alturonic Acid

C6H10O7 (194.0427)


   

(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

C6H10O7 (194.0427)


   

L-xylo-[5]hexulosonic acid

L-xylo-[5]hexulosonic acid

C6H10O7 (194.0427)


   

L-Sorbosonate

L-xylo-Hex-2-ulosonic acid

C6H10O7 (194.0427)


   

3-(3-Methoxyphenyl)-2-oxopropanoic acid

3-(3-Methoxyphenyl)-2-oxopropanoic acid

C10H10O4 (194.0579)


   

Vanillin acetate

acetic acid 4-formyl-2-methoxy-phenyl ester

C10H10O4 (194.0579)


Vanillin acetate is a phenyl acetate obtained by the formal condensation of phenolic group of vanillin with acetic acid. It is a member of benzaldehydes, a monomethoxybenzene and a member of phenyl acetates. It is functionally related to a vanillin. Vanillyl acetate is a metabolite found in or produced by Saccharomyces cerevisiae. Vanillin acetate is found in pulses. Vanillin acetate is a flavouring material. Vanillin acetate is present in fermented soya hydrolysate (shoyu Vanillin acetate is a flavouring material. It is found in pulses; fermented soya hydrolysate (shoyu).

   

Dimethyl_phthalate

BENZENE,1,2-DICARBOXYLIC ACID,DIMETHYL ESTER (PHTHALIC ACID,DIMETHYL ESTER)

C10H10O4 (194.0579)


Dimethyl phthalate appears as a water-white liquid without significant odor. Denser than water and insoluble in water. Hence sinks in water. Flash point 300 °F. Eye contact may produce severe irritation and direct skin contact may produce mild irritation. Used in the manufacture of a variety of products including plastics, insect repellents, safety glass, and lacquer coatings. Dimethyl phthalate is a phthalate ester, a diester and a methyl ester. Dimethyl phthalate has many uses, including in solid rocket propellants, plastics, and insect repellants. Acute (short-term) exposure to dimethyl phthalate, via inhalation in humans and animals, results in irritation of the eyes, nose, and throat. No information is available on the chronic (long-term), reproductive, developmental, or carcinogenic effects of dimethyl phthalate in humans. Animal studies have reported slight effects on growth and on the kidney from chronic oral exposure to the chemical. EPA has classified dimethyl phthalate as a Group D, not classifiable as to human carcinogencity. Dimethyl phthalate is a natural product found in Eleutherococcus sessiliflorus, Allium ampeloprasum, and other organisms with data available. Dimethyl phthalate is a phthalate ester. Phthalate esters are esters of phthalic acid and are mainly used as plasticizers, primarily used to soften polyvinyl chloride. They are found in a number of products, including glues, building materials, personal care products, detergents and surfactants, packaging, childrens toys, paints, pharmaceuticals, food products, and textiles. Phthalates are hazardous due to their ability to act as endocrine disruptors. They are being phased out of many products in the United States and European Union due to these health concerns. (L1903) P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents D010575 - Pesticides > D007302 - Insect Repellents D020011 - Protective Agents D016573 - Agrochemicals D005404 - Fixatives ATC code: P03BX02

   

Meconine

6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one

C10H10O4 (194.0579)


D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids Meconine is isolated from poppy straw (Papaver somniferum Meconine is an endogenous metabolite. Meconine is an endogenous metabolite.

   

Monoethyl phthalate

2-(Ethoxycarbonyl)benzoic acid

C10H10O4 (194.0579)


Monoethyl phthalate (mEtP) is a metabolite, or breakdown product, of diethyl phthalate, used in perfume, cologne, deodorant, soap, shampoo, lotion, and other personal care products, particularly those containing fragrance (http://www.ewg.org/sites/humantoxome/chemicals/chemical.php?chemid=100364). [HMDB] Monoethyl phthalate (mEtP) is a metabolite, or breakdown product, of diethyl phthalate, used in perfume, cologne, deodorant, soap, shampoo, lotion, and other personal care products, particularly those containing fragrance.

   

Temozolomide

3-Methyl-4-oxo-3,4-dihydroimidazo(5,1-D)(1,2,3,5)tetrazine-8-carboxamide

C6H6N6O2 (194.0552)


Temozolomide (Temodar and Temodal) is an oral alkylating agent used for the treatment of refractory anaplastic astrocytoma -- a type of cancerous brain tumor. Temozolomide is not active until it is converted at physiologic pH to the active form, 5-(3-methyltriazen-1-yl)imidazole-4-carboxamide (MTIC). L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents

   

(-)-trans-3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one

(-)-trans-3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one

C10H10O4 (194.0579)


(-)-trans-3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one is found in fats and oils. (-)-trans-3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one is isolated from Moringa oleifera (horseradish tree

   

3-(2-HYDROXY-4-METHOXYPHENYL)PROP-2-ENOIC ACID

3-(2-HYDROXY-4-METHOXYPHENYL)PROP-2-ENOIC ACID

C10H10O4 (194.0579)


   

Repandiol

(3-{4-[3-(hydroxymethyl)oxiran-2-yl]buta-1,3-diyn-1-yl}oxiran-2-yl)methanol

C10H10O4 (194.0579)


Repandiol is found in mushrooms. Repandiol is a constituent of the edible mushrooms Hydnum repandum and Hydnum repandum var. album. Constituent of the edible mushrooms Hydnum repandum and Hydnum repandum variety album. Repandiol is found in mushrooms.

   

3-(2-Hydroxy-3-methoxyphenyl)-2-propenoic acid

(2E)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C10H10O4 (194.0579)


3-(2-Hydroxy-3-methoxyphenyl)-2-propenoic acid is found in common wheat. 3-(2-Hydroxy-3-methoxyphenyl)-2-propenoic acid is present in wheat shoots. Present in wheat shoots. o-Ferulic acid is found in common wheat.

   

6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione

6-(hydroxymethyl)-2,3,4,8-tetrahydropteridine-2,4-dione

C7H6N4O3 (194.044)


6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione is found in green vegetables. 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione is isolated from leaves of spinach Spinacia oleracea. Isolated from leaves of spinach Spinacia oleracea. 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione is found in green vegetables and spinach.

   

2,5-Dihydroxycinnamic acid methyl ester

3-(2,5-dihydroxyphenyl)-2-propenoic acid methyl ester

C10H10O4 (194.0579)


2,5-Dihydroxycinnamic acid methyl ester belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors

   

Pectic acid

(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

C6H10O7 (194.0427)


Pectic acid is a water insoluble, transparent gelatinous acid existing in ripe fruit and some vegetables. Pectic acid exists in the cell walls of plant tissues, and these substances are ingested from vegetables, fruits, etc. Pectic substances are dealt with as dietary fibers, but other physiological functions are not clear. Pectic acid is degraded in the digestive tract of man and it is considered that digestion is by the action of intestinal bacteria. Pectic acid is mainly degraded to 4,5-unsaturated digalacturonic acid and perhaps to 4,5-unsaturated trigalacturonic acid, by the action of the enzymes from bacteria such as Bacteroides sp. and Clostridium sp. in the human digestive tract. Then, they are used as carbon sources by these pectic-acid-using bacteria. (PMID: 12111144). Present in cell walls of all plant tissues. Up to 30\\% w/w of this polysaccharide can be isolated from orange and lemon rind. It is used in food processing as a gelling agent, stabiliser, thickener and emusifier [DFC] D000074385 - Food Ingredients > D005503 - Food Additives > D010368 - Pectins

   

Pectin

(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

C6H10O7 (194.0427)


Pectin, also known as galacturonate or D-lyxose, is a structural acidic heteropolysaccharide contained in the primary and middle lamella and cell walls of terrestrial plants. Its main component is galacturonic acid, a sugar acid derived from galactose. It was first isolated and described in 1825 by Henri Braconnot. It is produced commercially as a white to light brown powder, mainly extracted from citrus fruits, and is used in food as a gelling agent, particularly in jams and jellies. It is also used in dessert fillings, medicines, sweets, as a stabiliser in fruit juices and milk drinks, and as a source of dietary fibre. In plant biology, pectin consists of a complex set of polysaccharides (see below) that are present in most primary cell walls and are particularly abundant in the non-woody parts of terrestrial plants. Pectin is a major component of the middle lamella, where it helps to bind cells together, but is also found in primary cell walls. Pectin is deposited by exocytosis into the cell wall via vesicles produced in the golgi. Pectin is a natural part of the human diet, but does not contribute significantly to nutrition. The daily intake of pectin from fruits and vegetables can be estimated to be around 5g if approximately 500g of fruits and vegetables are consumed per day. Pectin is a heterosaccharide derived from the cell wall of plants. Pectins vary in their chain lengths, complexity and the order of each of the monosaccharide units. The characteristic structure of pectin is a linear chain of alpha(1-4)linked D-galacturonic acid that forms the pectin-backbone, a homogalacturonan. [HMDB] COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Dopachrome o-semiquinone

[(2R)-2-carboxy-6-hydroxy-2,3-dihydro-1H-indol-5-yl]oxidanyl

C9H8NO4 (194.0453)


Dopachrome o-semiquinone is the semiquinone derivative of dopachrome. The non-decarboxylative tautomerization of L-dopachrome into 5,6-dihydroxyindole-2-carboxylic acid in the melanin biosynthetic pathway is catalyzed by tyrosinase-related protein-2, a melanocyte-specific enzyme. dopachrome o-semiquinone is the semiquinone derivative of dopachrome.

   

Piperonyl acetate

Acetic acid, (3, 4-methylenedioxy)benzyl ester

C10H10O4 (194.0579)


Piperonyl acetate is found in green vegetables. Piperonyl acetate is a flavouring agent. Piperonyl acetate is present in endive (Cichorium endiva Piperonyl acetate is a flavouring agent. It is found in green vegetables such as endive (Cichorium endiva)

   

L-Altruronic acid

(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

C6H10O7 (194.0427)


L-Altruronic acid is produced during pectin saponification, by epimerisation of BTZ50-V. Production during pectin saponification, by epimerisation of BTZ50-V

   

mono-Benzyl malonate

3-(benzyloxy)-3-oxopropanoic acid

C10H10O4 (194.0579)


mono-Benzyl malonate (CAS Number 40204-26-0) is a white crystalline, with 47-51C melting point. Malonate is a competitive inhibitor of the enzyme succinate dehydrogenase: malonate binds to the active site of the enzyme without reacting, and so competes with succinate, the usual substrate of the enzyme. The observation that malonate is a competitive inhibitor of succinate dehydrogenase was used to deduce the structure of the active site in that enzyme.

   

Aldehydo-L-iduronate

Galacturonic acid, calcium, sodium salt, (D)-isomer

C6H10O7 (194.0427)


Aldehydo-L-iduronate is also known as aldehydo-L-Iduronic acid. Aldehydo-L-iduronate is considered to be soluble (in water) and acidic

   

cis-Ferulic acid

(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C10H10O4 (194.0579)


Ferulic acid, also known as ferulate, is a member of the class of compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Ferulic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Ferulic acid can be synthesized from cis-cinnamic acid. Ferulic acid is also a parent compound for other transformation products, including but not limited to, (2S,3S)-cis-fertaric acid, (2R,3R)-cis-fertaric acid, and (Z)-4-hydroxy-3-methoxycinnamoylagmatine. Ferulic acid can be found in a number of food items such as pineapple, pear, evergreen huckleberry, and silver linden, which makes ferulic acid a potential biomarker for the consumption of these food products. Ferulic acid is a hydroxycinnamic acid, a type of organic compound. It is an abundant phenolic phytochemical found in plant cell walls, covalently bonded as side chains to molecules such as arabinoxylans. As a component of lignin, ferulic acid is a precursor in the manufacture of other aromatic compounds. The name is derived from the genus Ferula, referring to the giant fennel (Ferula communis) . D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D000975 - Antioxidants > D016166 - Free Radical Scavengers D006401 - Hematologic Agents > D000925 - Anticoagulants D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively. Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively.

   

Methyl 3,4-dihydroxycinnamate

Methyl 3-(3,4-dihydroxyphenyl)prop-2-enoic acid

C10H10O4 (194.0579)


   

(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid

(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid

C6H10O7 (194.0427)


   

Lactate oxygen

(2-hydroxypropanoyl)peroxy 2-hydroxypropanoate

C6H10O7 (194.0427)


   

theophylline one

3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-1-carbaldehyde

C7H6N4O3 (194.044)


   

cis-Isoferulic acid

3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

C10H10O4 (194.0579)


   

Mannuronic acid

(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

C6H10O7 (194.0427)


Mannuronic acid, also known as mannuronate, belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Mannuronic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Mannuronic acid can be found in flaxseed, which makes mannuronic acid a potential biomarker for the consumption of this food product.

   

(R)-3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one

(R)-3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one

C10H10O4 (194.0579)


(r)-3,4-dihydro-6,8-dihydroxy-3-methyl-1h-2-benzopyran-1-one belongs to hydroxybenzoic acid derivatives class of compounds. Those are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups (r)-3,4-dihydro-6,8-dihydroxy-3-methyl-1h-2-benzopyran-1-one is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (r)-3,4-dihydro-6,8-dihydroxy-3-methyl-1h-2-benzopyran-1-one can be found in carrot and wild carrot, which makes (r)-3,4-dihydro-6,8-dihydroxy-3-methyl-1h-2-benzopyran-1-one a potential biomarker for the consumption of these food products.

   

5-hydroxy-coniferaldehyde

3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enal

C10H10O4 (194.0579)


5-hydroxy-coniferaldehyde is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 5-hydroxy-coniferaldehyde can be found in a number of food items such as tronchuda cabbage, bitter gourd, swiss chard, and bayberry, which makes 5-hydroxy-coniferaldehyde a potential biomarker for the consumption of these food products.

   

BETA-D-GLUCOPYRANOSIDURONIC ACID

BETA-D-GLUCOPYRANOSIDURONIC ACID

C6H10O7 (194.0427)


   

Isoferulic acid

3-Hydroxy-4-methoxycinnamic acid, predominantly trans, 97\\%

C10H10O4 (194.0579)


Isoferulic acid (CAS: 537-73-5) is a chlorogenic acid (CGA). CGAs are formed by the esterification of hydroxycinnamic acids (e.g. caffeic acid, ferulic acid, and p-coumaric acid) with quinic acid. CGAs are abundant phenolic compounds in coffee, with caffeoylquinic (CQA), feruloylquinic (FQA), and dicaffeoylquinic (diCQA) acids being the major subclasses, and coffee is the most consumed food product in the world. Isoferulic acid is present in normal human urine in concentrations of 0.05-2.07 umol/mmol creatinine at baseline, and reaches 0.2-9.6 umol/mmol creatinine in four hours after a cup of coffee, with a large inter-individual variation (PMID:17884997). Isoferulic acid is a ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring. It has a role as a metabolite, a biomarker and an antioxidant. Isoferulic acid is a natural product found in Sibiraea angustata, Astragalus onobrychis, and other organisms with data available. See also: Black Cohosh (part of); Ipomoea aquatica leaf (part of). It is used as a food additive; listed in the EAFUS Food Additive Database (Jan 2001) Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. trans-Isoferulic acid (trans-3-Hydroxy-4-methoxycinnamic acid) is an aromatic acid isolated from the roots of Clematis florida var. plena. trans-Isoferulic acid exhibits anti-inflammatory activity[1].trans-isoferulic acid suppresses NO and PGE2 production through the induction of Nrf2-dependent heme oxygenase-1 (HO-1)[2]. trans-Isoferulic acid (trans-3-Hydroxy-4-methoxycinnamic acid) is an aromatic acid isolated from the roots of Clematis florida var. plena. trans-Isoferulic acid exhibits anti-inflammatory activity[1].trans-isoferulic acid suppresses NO and PGE2 production through the induction of Nrf2-dependent heme oxygenase-1 (HO-1)[2].

   

Isoferulic acid

3-Hydroxy-4-methoxycinnamic acid, predominantly trans, 97\\%

C10H10O4 (194.0579)


Isoferulic acid (CAS: 537-73-5) is a chlorogenic acid (CGA). CGAs are formed by the esterification of hydroxycinnamic acids (e.g. caffeic acid, ferulic acid, and p-coumaric acid) with quinic acid. CGAs are abundant phenolic compounds in coffee, with caffeoylquinic (CQA), feruloylquinic (FQA), and dicaffeoylquinic (diCQA) acids being the major subclasses, and coffee is the most consumed food product in the world. Isoferulic acid is present in normal human urine in concentrations of 0.05-2.07 umol/mmol creatinine at baseline, and reaches 0.2-9.6 umol/mmol creatinine in four hours after a cup of coffee, with a large inter-individual variation (PMID:17884997). Isoferulic acid is a ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring. It has a role as a metabolite, a biomarker and an antioxidant. Isoferulic acid is a natural product found in Sibiraea angustata, Astragalus onobrychis, and other organisms with data available. See also: Black Cohosh (part of); Ipomoea aquatica leaf (part of). A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring. It is used as a food additive; listed in the EAFUS Food Additive Database (Jan 2001) Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. trans-Isoferulic acid (trans-3-Hydroxy-4-methoxycinnamic acid) is an aromatic acid isolated from the roots of Clematis florida var. plena. trans-Isoferulic acid exhibits anti-inflammatory activity[1].trans-isoferulic acid suppresses NO and PGE2 production through the induction of Nrf2-dependent heme oxygenase-1 (HO-1)[2]. trans-Isoferulic acid (trans-3-Hydroxy-4-methoxycinnamic acid) is an aromatic acid isolated from the roots of Clematis florida var. plena. trans-Isoferulic acid exhibits anti-inflammatory activity[1].trans-isoferulic acid suppresses NO and PGE2 production through the induction of Nrf2-dependent heme oxygenase-1 (HO-1)[2].

   

3-(2-Formyl-3-hydroxyphenyl)-propionic acid

3-(2-Formyl-3-hydroxyphenyl)-propionic acid

C10H10O4 (194.0579)


   
   

3-deoxyisoochracinic acid

(-)-3-Deoxyisoochracinic acid

C10H10O4 (194.0579)


   

methyl 2-(4-methoxyphenyl)-2-oxoacetate

methyl 2-(4-methoxyphenyl)-2-oxoacetate

C10H10O4 (194.0579)


   
   

4-(2-Hydroxyphenyl)-4-oxobutyric acid

4-(2-Hydroxyphenyl)-4-oxobutyric acid

C10H10O4 (194.0579)


   

Bombardolide C

Bombardolide C

C10H10O4 (194.0579)


   

Speciosin D

Speciosin D

C10H10O4 (194.0579)


   

3-Deoxy-arabino-hexaric acid

3-Deoxy-D-arabino-Hexaric acid

C6H10O7 (194.0427)


   

2-Keto-L-gluconic acid

L-arabino-2-Hexulosonic acid

C6H10O7 (194.0427)


   

E-Ferulic acid

4-Hydroxy-3-methoxy-(E)-cinnamic acid

C10H10O4 (194.0579)


(E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1]. (E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1].

   

Glucuronate

(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

C6H10O7 (194.0427)


A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES. Glucuronic acid, an important derivative of glucose, serves several key biological functions: Detoxification: Glucuronic acid plays a crucial role in the detoxification process within the liver. It conjugates with various toxins, drugs, and bilirubin (a breakdown product of heme) to form water-soluble glucuronides. This conjugation process enhances the elimination of these substances from the body. Glycosaminoglycan Synthesis: It is a precursor for the synthesis of glycosaminoglycans (GAGs), such as hyaluronic acid, chondroitin sulfate, and dermatan sulfate. These GAGs are important components of connective tissues, providing structural support and contributing to tissue hydration and lubrication. Ascorbic Acid (Vitamin C) Synthesis: In some animals, glucuronic acid is involved in the synthesis of ascorbic acid, an essential vitamin. Bile Acid Synthesis: Glucuronic acid is also involved in the synthesis of certain bile acids, which are crucial for the digestion and absorption of dietary fats. Metabolism of Steroids and Xenobiotics: It participates in the metabolism of steroids and various xenobiotics (foreign substances), aiding in their elimination from the body. Cell Signaling: Glucuronic acid-containing compounds, like GAGs, can interact with cell surface receptors and influence cell signaling pathways, impacting processes like cell growth, adhesion, and migration. DL-Glucuronic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=576-37-4 (retrieved 2024-07-01) (CAS RN: 576-37-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

cis-4-Hydroxymellein

cis-3S,4S-4-Hydroxymellein

C10H10O4 (194.0579)


   

trans-4-Hydroxymellein

(-)-trans-3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one

C10H10O4 (194.0579)


   

DIMETHYL ISOPHTHALATE

DIMETHYL ISOPHTHALATE

C10H10O4 (194.0579)


CONFIDENCE standard compound; INTERNAL_ID 1177; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10066; ORIGINAL_PRECURSOR_SCAN_NO 10061 CONFIDENCE standard compound; INTERNAL_ID 1177; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10088; ORIGINAL_PRECURSOR_SCAN_NO 10085 CONFIDENCE standard compound; INTERNAL_ID 1177; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10163; ORIGINAL_PRECURSOR_SCAN_NO 10160 CONFIDENCE standard compound; INTERNAL_ID 1177; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10132; ORIGINAL_PRECURSOR_SCAN_NO 10128

   

DIMETHYL TEREPHTHALATE

DIMETHYL TEREPHTHALATE

C10H10O4 (194.0579)


D004785 - Environmental Pollutants > D012989 - Soil Pollutants D010575 - Pesticides > D007302 - Insect Repellents D020011 - Protective Agents D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 783; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10066; ORIGINAL_PRECURSOR_SCAN_NO 10061 CONFIDENCE standard compound; INTERNAL_ID 783; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10088; ORIGINAL_PRECURSOR_SCAN_NO 10085 CONFIDENCE standard compound; INTERNAL_ID 783; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10163; ORIGINAL_PRECURSOR_SCAN_NO 10160 CONFIDENCE standard compound; INTERNAL_ID 783; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10132; ORIGINAL_PRECURSOR_SCAN_NO 10128

   

5,6-Dimethoxyisobenzofuran-1(3H)-one

5,6-Dimethoxyisobenzofuran-1(3H)-one

C10H10O4 (194.0579)


   

3-(2-formyl-3-hydroxyphenyl)propionic acid

3-(2-formyl-3-hydroxyphenyl)propionic acid

C10H10O4 (194.0579)


   

Quadrilineatin

Quadrilineatin

C10H10O4 (194.0579)


   

3-Me-2,4,7(1H,3H,8H)-Pteridinetrione

3-Me-2,4,7(1H,3H,8H)-Pteridinetrione

C7H6N4O3 (194.044)


   

5-Methoxy-6-methyl-7-hydroxyisobenzofuran-1(3H)-one

5-Methoxy-6-methyl-7-hydroxyisobenzofuran-1(3H)-one

C10H10O4 (194.0579)


   

Ethyl 2-(2-hydroxyphenyl)-2-oxoacetate

Ethyl 2-(2-hydroxyphenyl)-2-oxoacetate

C10H10O4 (194.0579)


   

4-Hydroxy-6-methoxy-5-methyl-1(3H)-isobenzofuranone

4-Hydroxy-6-methoxy-5-methyl-1(3H)-isobenzofuranone

C10H10O4 (194.0579)


   

methyl 3-(4-hydroxyphenyl)-3-oxopropanoate

methyl 3-(4-hydroxyphenyl)-3-oxopropanoate

C10H10O4 (194.0579)


   

3-(2-hydroxy-5-methoxyphenyl)prop-2-enoic acid

3-(2-hydroxy-5-methoxyphenyl)prop-2-enoic acid

C10H10O4 (194.0579)


   

1-methyl-8H-pteridine-2,4,7-trione

1-methyl-8H-pteridine-2,4,7-trione

C7H6N4O3 (194.044)


   

ACMC-20mo1m

ACMC-20mo1m

C10H10O4 (194.0579)


   

6,8-dihydroxy-1-methylisochroman-3-one

6,8-dihydroxy-1-methylisochroman-3-one

C10H10O4 (194.0579)


   
   

2,6-dihydroxy-2,4-dimethyl-3(2H)-benzofuranone|solutin

2,6-dihydroxy-2,4-dimethyl-3(2H)-benzofuranone|solutin

C10H10O4 (194.0579)


   

4,5,8-trihydroxytetralone

4,5,8-trihydroxytetralone

C10H10O4 (194.0579)


   

Gibepyrone D

Gibepyrone D

C10H10O4 (194.0579)


   

Methyl 3-(3,5-dihydroxyphenyl)prop-2-enoate

Methyl 3-(3,5-dihydroxyphenyl)prop-2-enoate

C10H10O4 (194.0579)


   

7-hydroxy-6-methoxychroman-2-one

7-hydroxy-6-methoxychroman-2-one

C10H10O4 (194.0579)


   

2,2-dihydroxy-6-methoxychromene

2,2-dihydroxy-6-methoxychromene

C10H10O4 (194.0579)


   

6-Hydroxyisosclerone

6-Hydroxyisosclerone

C10H10O4 (194.0579)


   

NCI60_006144

NCI60_006144

C10H10O4 (194.0579)


   

(-)-gynuraone

(-)-gynuraone

C10H10O4 (194.0579)


A chromanone that is 2,3-dihydro-4H-chromen-4-one substituted by hydroxy groups at positions 3 and 5 and a methyl group at position 2 (the 2R,3R stereoisomer). Isolated form the endophytic fungus Microdiplodia species, it exhibits antibacterial activity.

   

3,4-Dihydro-6-hydroxy-7-methoxy-2H-1-benzopyran-2-one

3,4-Dihydro-6-hydroxy-7-methoxy-2H-1-benzopyran-2-one

C10H10O4 (194.0579)


   

3-(1-Hydroxyethyl)-7-hydroxyisobenzofuran-1(3H)-one

3-(1-Hydroxyethyl)-7-hydroxyisobenzofuran-1(3H)-one

C10H10O4 (194.0579)


   

1,1,3,3-tetraoxo-2,2-bicyclopentyl

1,1,3,3-tetraoxo-2,2-bicyclopentyl

C10H10O4 (194.0579)


   
   

3,4-dihydro-5,8-dihydroxy-3-methylisocoumarin

3,4-dihydro-5,8-dihydroxy-3-methylisocoumarin

C10H10O4 (194.0579)


   

3,4-Dihydro-6,8-dihydroxy-3-methyl-isocoumarin

3,4-Dihydro-6,8-dihydroxy-3-methyl-isocoumarin

C10H10O4 (194.0579)


   

(-)-6-(4-hydroxy-3-oxopent-1E-enyl)-2H-pyran-2-one

(-)-6-(4-hydroxy-3-oxopent-1E-enyl)-2H-pyran-2-one

C10H10O4 (194.0579)


   
   

(Z,E)-7,8(cis)-epoxy-4-oxodeca-2,5-dien-9-olide|Pyrenolide A|pyrenolide B

(Z,E)-7,8(cis)-epoxy-4-oxodeca-2,5-dien-9-olide|Pyrenolide A|pyrenolide B

C10H10O4 (194.0579)


   

1-(4-hydroxy-3-methoxyphenyl)propane-1,2-dione

1-(4-hydroxy-3-methoxyphenyl)propane-1,2-dione

C10H10O4 (194.0579)


   

ACMC-20mh7t

ACMC-20mh7t

C10H10O4 (194.0579)


   

methyl 2-formyl-6-methoxybenzoate

methyl 2-formyl-6-methoxybenzoate

C10H10O4 (194.0579)


   

(Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid methyl ester

(Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid methyl ester

C10H10O4 (194.0579)


   

2,3-epoxy-1,2,3,4-tetrahydronaphthalene-c-1,c-4,8-triol|2,3r-Epoxy-1,2,3,4-tetrahydro-naphtalin-1c,4c,5-triol

2,3-epoxy-1,2,3,4-tetrahydronaphthalene-c-1,c-4,8-triol|2,3r-Epoxy-1,2,3,4-tetrahydro-naphtalin-1c,4c,5-triol

C10H10O4 (194.0579)


   

methyl 2-formyl-3-methoxybenzoate

methyl 2-formyl-3-methoxybenzoate

C10H10O4 (194.0579)


   

ethyl 2-(4-hydroxyphenyl)-2-oxoacetate

ethyl 2-(4-hydroxyphenyl)-2-oxoacetate

C10H10O4 (194.0579)


   

speciosin P

speciosin P

C10H10O4 (194.0579)


   

3,4-Dihydro-3,4,5-trihydroxy-1(2H)-naphthalenone

3,4-Dihydro-3,4,5-trihydroxy-1(2H)-naphthalenone

C10H10O4 (194.0579)


   

1-cis-propenyl-1S,6R-epoxy-4-methoxy-2,5-quinone

1-cis-propenyl-1S,6R-epoxy-4-methoxy-2,5-quinone

C10H10O4 (194.0579)


   

3-(2-Hydroxybenzoyl)propionic acid

3-(2-Hydroxybenzoyl)propionic acid

C10H10O4 (194.0579)


   

Gentiopicral

Gentiopicral

C10H10O4 (194.0579)


   

SCHEMBL12972500

SCHEMBL12972500

C10H10O4 (194.0579)


   

5,7-dimethoxyphthalide

5,7-dimethoxyphthalide

C10H10O4 (194.0579)


   

1,2-Diacetoxybenzene

1,2-Diacetoxybenzene

C10H10O4 (194.0579)


   

Isoochracinol

Isoochracinol

C10H10O4 (194.0579)


   

2-(4-hydroxyphenyl)-2-oxoethyl acetate

2-(4-hydroxyphenyl)-2-oxoethyl acetate

C10H10O4 (194.0579)


   

1-methyl-5H-pteridine-2,4,6-trione

1-methyl-5H-pteridine-2,4,6-trione

C7H6N4O3 (194.044)


   

Di-Me ester-(E,E)-2,6-Octadien-4-ynedioic acid

Di-Me ester-(E,E)-2,6-Octadien-4-ynedioic acid

C10H10O4 (194.0579)


   
   

Luciopterin

Luciopterin

C7H6N4O3 (194.044)


   

Methyl 4-acetoxybenzoate

Methyl 4-acetoxybenzoate

C10H10O4 (194.0579)


   

2-(Acetyloxy)-6-methylbenzoic acid

2-(Acetyloxy)-6-methylbenzoic acid

C10H10O4 (194.0579)


   
   

4,5-Dimethoxyisophthalaldehyde

4,5-Dimethoxyisophthalaldehyde

C10H10O4 (194.0579)


   

O-acetyl mandelic acid

O-acetyl mandelic acid

C10H10O4 (194.0579)


   

(+-)-trans-2,10-Dihydroxy-decen-(4)-diin-(6,8)-saeure|trans-2,10-Dihydroxy-dec-4-en-6,8-diynsaeure

(+-)-trans-2,10-Dihydroxy-decen-(4)-diin-(6,8)-saeure|trans-2,10-Dihydroxy-dec-4-en-6,8-diynsaeure

C10H10O4 (194.0579)


   

caffeic acid methyl ester|methyl 2,5-dihydroxycinnamate

caffeic acid methyl ester|methyl 2,5-dihydroxycinnamate

C10H10O4 (194.0579)


   
   

3-(4-methoxyphenyl)-3-oxopropanoic acid

3-(4-methoxyphenyl)-3-oxopropanoic acid

C10H10O4 (194.0579)


   

5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone

5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone

C10H10O4 (194.0579)


   
   
   

Cresopirine

Cresopirine

C10H10O4 (194.0579)


   

2,3,5-trihydroxyhexanedioic acid

2,3,5-trihydroxyhexanedioic acid

C6H10O7 (194.0427)


   

Methyl_caffeate

2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (E)-

C10H10O4 (194.0579)


Methyl caffeate is an alkyl caffeate ester formed by the formal condensation of caffeic acid with methyl alcohol. It is an alkyl caffeate ester and a methyl ester. Methyl caffeate is a natural product found in Smilax bracteata, Fumaria capreolata, and other organisms with data available. See also: Black Cohosh (part of). An ester formed by the formal condensation of caffeic acid with methyl alcohol. Methyl caffeate, an antimicrobial agent, shows moderate antimicrobial and prominent antimycobacterial activities. Methyl caffeate also exhibits α-glucosidase inhibition activity, oxidative stress inhibiting activity, anti-platelet activity, antiproliferative activity in cervix adenocarcinoma and anticancer activity in lung and leukmia cell lines[1]. Methyl caffeate, an antimicrobial agent, shows moderate antimicrobial and prominent antimycobacterial activities. Methyl caffeate also exhibits α-glucosidase inhibition activity, oxidative stress inhibiting activity, anti-platelet activity, antiproliferative activity in cervix adenocarcinoma and anticancer activity in lung and leukmia cell lines[1].

   

Monoethyl phthalate

2-(Ethoxycarbonyl)benzoic acid

C10H10O4 (194.0579)


A phthalic acid monoester resulting from the condensation of one of the carboxy groups of phthalic acid with ethanol. CONFIDENCE standard compound; INTERNAL_ID 8232 CONFIDENCE standard compound; INTERNAL_ID 4205

   

4-hydroxymellein_130076

4-hydroxymellein_130076

C10H10O4 (194.0579)


   

D-Glucuronolactone

D-Glucuronolactone

C6H10O7 (194.0427)


   

D-Glucuronic acid

aldehydo-D-glucuronic acid

C6H10O7 (194.0427)


A D-glucuronic acid in cyclic pyranose form. D-glucuronic acid, also known as glucuronate or glucuronic acid, monopotassium salt, belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. D-glucuronic acid is soluble (in water) and a weakly acidic compound (based on its pKa). D-glucuronic acid can be found in a number of food items such as peach, dandelion, corn, and horseradish tree, which makes D-glucuronic acid a potential biomarker for the consumption of these food products. Glucuronic acid (from Ancient Greek γλυκύς "sweet" + οὖρον "urine") is a uronic acid that was first isolated from urine (hence the name). It is found in many gums such as gum arabic (c. 18\\\\%) and xanthan, and is important for the metabolism of microorganisms, plants and animals . D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1]. D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1].

   

D-(+)-GALACTURONIC ACID

D-(+)-GALACTURONIC ACID

C6H10O7 (194.0427)


   

ferulate

InChI=1\C10H10O4\c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13\h2-6,11H,1H3,(H,12,13

C10H10O4 (194.0579)


Ferulic acid, also known as 4-hydroxy-3-methoxycinnamic acid or 3-methoxy-4-hydroxy-trans-cinnamic acid, is a member of the class of compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Ferulic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Ferulic acid can be found in a number of food items such as flaxseed, pepper (c. chinense), chinese cinnamon, and wakame, which makes ferulic acid a potential biomarker for the consumption of these food products. Ferulic acid can be found primarily in blood, feces, and urine, as well as in human fibroblasts and stratum corneum tissues. Ferulic acid exists in all eukaryotes, ranging from yeast to humans. Ferulic acid is a hydroxycinnamic acid, a type of organic compound. It is an abundant phenolic phytochemical found in plant cell walls, covalently bonded as side chains to molecules such as arabinoxylans. As a component of lignin, ferulic acid is a precursor in the manufacture of other aromatic compounds. The name is derived from the genus Ferula, referring to the giant fennel (Ferula communis) . D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D000975 - Antioxidants > D016166 - Free Radical Scavengers D006401 - Hematologic Agents > D000925 - Anticoagulants D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents (E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1]. (E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1]. Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively. Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively.

   

trans-ferulic acid

trans-ferulic acid

C10H10O4 (194.0579)


Annotation level-1 (E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1]. (E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1].

   

Ferulic acid

4-hydroxy-3-methoxycinnamic acid

C10H10O4 (194.0579)


(E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1]. (E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1]. Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively. Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively.

   

D-Galacturonic acid

D(+)-Galacturonic acid monohydrate

C6H10O7 (194.0427)


D000074385 - Food Ingredients > D005503 - Food Additives > D010368 - Pectins The alpha-anomer of D-galacturonic acid.

   

Isoferulic acid

3-hydroxy-4-methoxycinnamic acid

C10H10O4 (194.0579)


Isoferulic acid is a ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring. It has a role as a metabolite, a biomarker and an antioxidant. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities.

   

(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

NCGC00247490-02!(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

C10H10O4 (194.0579)


   
   

Dimethyl phthalate

Dimethyl phthalate

C10H10O4 (194.0579)


   

temozolomide

temozolomide

C6H6N6O2 (194.0552)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents

   

2-Ketogluconic acid

2-Ketogluconic acid

C6H10O7 (194.0427)


   

5-Ketogluconic acid

5-Ketogluconic acid

C6H10O7 (194.0427)


   

D-sorbosonic acid

D-sorbosonic acid

C6H10O7 (194.0427)


   

Metameconine

Metameconine

C10H10O4 (194.0579)


   

Vanillin acetate

Benzaldehyde, 4-acetoxy-3-methoxy

C10H10O4 (194.0579)


Annotation level-1

   

trans-Ferulic acid; [M+H-H2O]+

trans-Ferulic acid; [M+H-H2O]+

C10H10O4 (194.0579)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; KSEBMYQBYZTDHS-HWKANZROSA-N_STSL_0233_trans-Ferulic acid_0500fmol_190114_S2_LC02MS02_056; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

   

(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid [IIN-based: Match]

NCGC00247490-02!(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid [IIN-based: Match]

C10H10O4 (194.0579)


   

(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid [IIN-based on: CCMSLIB00000846001]

NCGC00247490-02!(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid [IIN-based on: CCMSLIB00000846001]

C10H10O4 (194.0579)


   
   
   

trans-Ferulic acid; LC-tDDA; CE10

trans-Ferulic acid; LC-tDDA; CE10

C10H10O4 (194.0579)


   

trans-Ferulic acid; LC-tDDA; CE20

trans-Ferulic acid; LC-tDDA; CE20

C10H10O4 (194.0579)


   

trans-Ferulic acid; LC-tDDA; CE30

trans-Ferulic acid; LC-tDDA; CE30

C10H10O4 (194.0579)


   

trans-Ferulic acid; LC-tDDA; CE40

trans-Ferulic acid; LC-tDDA; CE40

C10H10O4 (194.0579)


   

Glucuronic acid; LC-tDDA; CE10

Glucuronic acid; LC-tDDA; CE10

C6H10O7 (194.0427)


   

Glucuronic acid; LC-tDDA; CE20

Glucuronic acid; LC-tDDA; CE20

C6H10O7 (194.0427)


   

Glucuronic acid; LC-tDDA; CE30

Glucuronic acid; LC-tDDA; CE30

C6H10O7 (194.0427)


   

Glucuronic acid; LC-tDDA; CE40

Glucuronic acid; LC-tDDA; CE40

C6H10O7 (194.0427)


   

Galacturonate

Galacturonate

C6H10O7 (194.0427)


   

Glucuronate

Glucuronate

C6H10O7 (194.0427)


   

5-KETO-GLUCONIC ACID

5-KETO-GLUCONIC ACID

C6H10O7 (194.0427)


   

2-keto-l-gulonic acid

L-xylo-2-Hexulosonicacid

C6H10O7 (194.0427)


D018977 - Micronutrients > D014815 - Vitamins > D000072664 - Provitamins

   

D-Lyxopyranose

D-Lyxopyranose

C6H10O7 (194.0427)


   

CRESOPYRINE

2-(Acetyloxy)-3-Methylbenzoic Acid

C10H10O4 (194.0579)


   

Erbstatin Analog

3-(2,5-dihydroxyphenyl)-2-propenoic acid, methyl ester

C10H10O4 (194.0579)


   

2E,4E,6Z,8Z-Decatetraenedioic acid

2E,4E,6Z,8Z-Decatetraenedioic acid

C10H10O4 (194.0579)


   

2E,4Z,6Z,8Z-Decatetraenedioic acid

2E,4Z,6Z,8Z-Decatetraenedioic acid

C10H10O4 (194.0579)


   

2E,4E,6E,8E-Decatetraenedioic acid

2E,4E,6E,8E-Decatetraenedioic acid

C10H10O4 (194.0579)


   

Piperonylacetate

Acetic acid, (3, 4-methylenedioxy)benzyl ester

C10H10O4 (194.0579)


   

Meconin

6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one

C10H10O4 (194.0579)


D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids Meconine is an endogenous metabolite. Meconine is an endogenous metabolite.

   

6-Hydroxymethyllumazine, 8ci

6-(hydroxymethyl)-2,3,4,8-tetrahydropteridine-2,4-dione

C7H6N4O3 (194.044)


   

Orthoferulic acid

(2E)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C10H10O4 (194.0579)


   

Repandiol

(3-{4-[3-(hydroxymethyl)oxiran-2-yl]buta-1,3-diyn-1-yl}oxiran-2-yl)methanol

C10H10O4 (194.0579)


   

MONO-BENZYL MALONATE

3-oxo-3-phenylmethoxypropanoic acid

C10H10O4 (194.0579)


   

FA 10:5;O2

2E,4E,6E,8E-Decatetraenedioic acid

C10H10O4 (194.0579)


   

FOH 6:2;O6

D-arabino-hex-5-ulosonic acid

C6H10O7 (194.0427)


   

FOH 10:6;O3

Deca-4,6,8-triyne-1,1,2,3-tetraol

C10H10O4 (194.0579)


   

Methyl 5-formyl-2-methoxybenzoate

Methyl 5-formyl-2-methoxybenzoate

C10H10O4 (194.0579)


   

3-(4-CARBOXYPHENYL)PROPIONIC ACID

3-(4-CARBOXYPHENYL)PROPIONIC ACID

C10H10O4 (194.0579)


   

2-Benzothiazolamine,4-methoxy-N-methyl-(9CI)

2-Benzothiazolamine,4-methoxy-N-methyl-(9CI)

C9H10N2OS (194.0514)


   

Methyl 5-acetyl-2-hydroxybenzoate

Methyl 5-acetyl-2-hydroxybenzoate

C10H10O4 (194.0579)


   

Ac-HMBA-linker

Ac-HMBA-linker

C10H10O4 (194.0579)


   

(5-CHLORO-7-IODO-QUINOLIN-8-YLOXY)-ACETICACIDHYDRAZIDE

(5-CHLORO-7-IODO-QUINOLIN-8-YLOXY)-ACETICACIDHYDRAZIDE

C9H7FN2O2 (194.0492)


   

Propanoic acid,2-(4-formylphenoxy)-

Propanoic acid,2-(4-formylphenoxy)-

C10H10O4 (194.0579)


   

Methyl 5-fluoro-1H-indazole-3-carboxylate

Methyl 5-fluoro-1H-indazole-3-carboxylate

C9H7FN2O2 (194.0492)


   

1-phenylcyclobutane-1-carbonyl chloride

1-phenylcyclobutane-1-carbonyl chloride

C11H11ClO (194.0498)


   

1,3-Benzodioxole-5-aceticacid, methyl ester

1,3-Benzodioxole-5-aceticacid, methyl ester

C10H10O4 (194.0579)


   

1-(3-ACETYLPHENYL)-2-THIOUREA

1-(3-ACETYLPHENYL)-2-THIOUREA

C9H10N2OS (194.0514)


   

5-ETHYL-6-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE

5-ETHYL-6-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE

C9H10N2OS (194.0514)


   

Phenylsuccinic acid

N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE

C10H10O4 (194.0579)


   

Methyl 4-formyl-3-methoxybenzoate

Methyl 4-formyl-3-methoxybenzoate

C10H10O4 (194.0579)


   

6-Propylthieno[2,3-d]pyrimidin-4(3H)-one

6-Propylthieno[2,3-d]pyrimidin-4(3H)-one

C9H10N2OS (194.0514)


   

2-(2-Carboxyethyl)benzoic acid

2-(2-Carboxyethyl)benzoic acid

C10H10O4 (194.0579)


   

3-Pyridinemethanamine, 2-fluoro-5-(trifluoromethyl)

3-Pyridinemethanamine, 2-fluoro-5-(trifluoromethyl)

C7H6F4N2 (194.0467)


   

2,5-DIMETHYLTEREPHTHALIC ACID

2,5-DIMETHYLTEREPHTHALIC ACID

C10H10O4 (194.0579)


   

3-(2-HYDROXY-6-METHOXY-PHENYL)-ACRYLIC ACID

3-(2-HYDROXY-6-METHOXY-PHENYL)-ACRYLIC ACID

C10H10O4 (194.0579)


   

3-(3,4-Methylenedioxyphenyl)propionic acid

3-(3,4-Methylenedioxyphenyl)propionic acid

C10H10O4 (194.0579)


   

2-(2-Methoxy-2-oxoEthyl)benzoic acid

2-(2-Methoxy-2-oxoEthyl)benzoic acid

C10H10O4 (194.0579)


   

Methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

C10H10O4 (194.0579)


   

4-ACETYL-2-HYDROXY-BENZOIC ACID METHYL ESTER

4-ACETYL-2-HYDROXY-BENZOIC ACID METHYL ESTER

C10H10O4 (194.0579)


   

4-Chloro-2-ethyl-1-indanone

4-Chloro-2-ethyl-1-indanone

C11H11ClO (194.0498)


   

DIALLYLOXYACETIC ACID, SODIUM SALT, 50 WT. SOLUTION IN WATER

DIALLYLOXYACETIC ACID, SODIUM SALT, 50 WT. SOLUTION IN WATER

C8H11NaO4 (194.0555)


   

(1-METHYL-5-THIEN-2-YL-1H-PYRAZOL-3-YL)METHANOL

(1-METHYL-5-THIEN-2-YL-1H-PYRAZOL-3-YL)METHANOL

C9H10N2OS (194.0514)


   

METHYL 6-FLUORO-1H-BENZO[D]IMIDAZOLE-2-CARBOXYLATE

METHYL 6-FLUORO-1H-BENZO[D]IMIDAZOLE-2-CARBOXYLATE

C9H7FN2O2 (194.0492)


   

3,4-dihydro-2h-1,5-benzodioxepine-7-carboxylic acid

3,4-dihydro-2h-1,5-benzodioxepine-7-carboxylic acid

C10H10O4 (194.0579)


   

2-Amino-6-ethoxybenzothiazole

2-Amino-6-ethoxybenzothiazole

C9H10N2OS (194.0514)


   

4-(2-Carboxyethyl)benzoic acid

4-(2-Carboxyethyl)benzoic acid

C10H10O4 (194.0579)


   

Benzaldehyde,2-(acetyloxy)-3-methoxy-

Benzaldehyde,2-(acetyloxy)-3-methoxy-

C10H10O4 (194.0579)


   

4-Hydroxybenzoylacetic acid methyl ester

4-Hydroxybenzoylacetic acid methyl ester

C10H10O4 (194.0579)


   

r-Cumidic acid

r-Cumidic acid

C10H10O4 (194.0579)


   

(1-methyl-1H-imidazol-2-yl)(2-thienyl)methanol

(1-methyl-1H-imidazol-2-yl)(2-thienyl)methanol

C9H10N2OS (194.0514)


   

2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid methyl ester

2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid methyl ester

C10H10O4 (194.0579)


   

3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PROPAN-1-OL

3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PROPAN-1-OL

C7H6N4O3 (194.044)


   

4-(TRIFLUOROMETHYLSULFONY)PHENYLACETIC ACID

4-(TRIFLUOROMETHYLSULFONY)PHENYLACETIC ACID

C10H10O4 (194.0579)


   

[4-(Methoxycarbonyl)phenyl]acetic acid

[4-(Methoxycarbonyl)phenyl]acetic acid

C10H10O4 (194.0579)


   

4,5-DIMETHOXYISOBENZOFURAN-1(3H)-ONE

4,5-DIMETHOXYISOBENZOFURAN-1(3H)-ONE

C10H10O4 (194.0579)


   

4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid Hydrochloride

4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid Hydrochloride

C10H10O4 (194.0579)


   

Acetic acid, (2-formyl-4-methylphenoxy)-

Acetic acid, (2-formyl-4-methylphenoxy)-

C10H10O4 (194.0579)


   

4,5-dimethylphthalic acid

4,5-dimethylphthalic acid

C10H10O4 (194.0579)


   

1,2-Phenylenediacetic Acid

1,2-Phenylenediacetic Acid

C10H10O4 (194.0579)


   

3-(Methoxycarbonyl)-5-methylbenzoic acid

3-(Methoxycarbonyl)-5-methylbenzoic acid

C10H10O4 (194.0579)


   

5-(4-Chlorophenyl)-4-penten-2-one

5-(4-Chlorophenyl)-4-penten-2-one

C11H11ClO (194.0498)


   

5,6-Dimethoxy-3H-isobenzofuran-1-one

5,6-Dimethoxy-3H-isobenzofuran-1-one

C10H10O4 (194.0579)


   

3-(Methoxycarbonyl)-4-methylbenzoic acid

3-(Methoxycarbonyl)-4-methylbenzoic acid

C10H10O4 (194.0579)


   

(2-Acetylphenoxy)acetic acid

(2-Acetylphenoxy)acetic acid

C10H10O4 (194.0579)


   

(R)-(-)-Phenylsuccinic acid

(R)-(-)-Phenylsuccinic acid

C10H10O4 (194.0579)


   

2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid

2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid

C10H10O4 (194.0579)


   

Methyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate

Methyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate

C10H10O4 (194.0579)


   

3-CHLORO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE

3-CHLORO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE

C11H11ClO (194.0498)


   

Methyl 3-Acetyl-2-hydroxybenzoate

Methyl 3-Acetyl-2-hydroxybenzoate

C10H10O4 (194.0579)


   

magnesium methacrylate

magnesium methacrylate

C8H10MgO4 (194.043)


   

2,5-dimethoxyterephthalaldehyde

2,5-dimethoxyterephthalaldehyde

C10H10O4 (194.0579)


   

Potassium tert-butoxymethyltrifluoroborate

Potassium tert-butoxymethyltrifluoroborate

C5H11BF3KO (194.0492)


   

(2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL)HYDRAZINE

(2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL)HYDRAZINE

C7H6F4N2 (194.0467)


   

(4-(CYCLOPROPYLTHIO)PHENYL)BORONIC ACID

(4-(CYCLOPROPYLTHIO)PHENYL)BORONIC ACID

C9H11BO2S (194.0573)


   

[2-Fluoro-4-(trifluoromethyl)phenyl]hydrazine

[2-Fluoro-4-(trifluoromethyl)phenyl]hydrazine

C7H6F4N2 (194.0467)


   

Methyl 4-fluoro-1H-indazole-6-carboxylate

Methyl 4-fluoro-1H-indazole-6-carboxylate

C9H7FN2O2 (194.0492)


   

1-Methyl-3-trifluoromethy lpyrazole-5-boronic acid

1-Methyl-3-trifluoromethy lpyrazole-5-boronic acid

C5H6BF3N2O2 (194.0474)


   

methyl 2-(3-formyl-4-hydroxyphenyl)acetate

methyl 2-(3-formyl-4-hydroxyphenyl)acetate

C10H10O4 (194.0579)


   

2,3-Dihydro-1,4-benzodioxin-6-ylacetic acid

2,3-Dihydro-1,4-benzodioxin-6-ylacetic acid

C10H10O4 (194.0579)


   

2-INDANCARBOXYLICACID

2-INDANCARBOXYLICACID

C10H10O4 (194.0579)


   

2-CHLORO-6,7,8,9-TETRAHYDRO-BENZOCYCLOHEPTEN-5-ONE

2-CHLORO-6,7,8,9-TETRAHYDRO-BENZOCYCLOHEPTEN-5-ONE

C11H11ClO (194.0498)


   

2-HYDROXY-4-OXO-4-PHENYLBUTANOIC ACID

2-HYDROXY-4-OXO-4-PHENYLBUTANOIC ACID

C10H10O4 (194.0579)


   

CHEMBRDG-BB 9071542

CHEMBRDG-BB 9071542

C10H10O4 (194.0579)


   

2-(dimethylamino)-1,3-benzothiazol-6-ol

2-(dimethylamino)-1,3-benzothiazol-6-ol

C9H10N2OS (194.0514)


   

Acetic acid,2-(3-acetylphenoxy)-

Acetic acid,2-(3-acetylphenoxy)-

C10H10O4 (194.0579)


   

METHYL 4-OXO-4,5,6,7-TETRAHYDROBENZOFURAN-3-CARBOXYLATE

METHYL 4-OXO-4,5,6,7-TETRAHYDROBENZOFURAN-3-CARBOXYLATE

C10H10O4 (194.0579)


   

2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-6-HYDROXY-

2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-6-HYDROXY-

C10H10O4 (194.0579)


   

2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-7-HYDROXY-, (S)-

2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-7-HYDROXY-, (S)-

C10H10O4 (194.0579)


   

Methyl 6-fluoro-1H-indazole-4-carboxylate

Methyl 6-fluoro-1H-indazole-4-carboxylate

C9H7FN2O2 (194.0492)


   

ethyl 3-formyl-4-hydroxybenzoate

ethyl 3-formyl-4-hydroxybenzoate

C10H10O4 (194.0579)


   

4-(dimethylamino)-2,3,5,6-tetrafluoropyridine

4-(dimethylamino)-2,3,5,6-tetrafluoropyridine

C7H6F4N2 (194.0467)


   

1H,5H-Pyrazolo[1,2-a]-s-triazole-6-carboxylicacid,2,3-dihydro-1,3,5-triimino-

1H,5H-Pyrazolo[1,2-a]-s-triazole-6-carboxylicacid,2,3-dihydro-1,3,5-triimino-

C6H6N6O2 (194.0552)


   

1,4-Benzodioxin-6-carboxylic acid,2,3-dihydro-8-methyl-

1,4-Benzodioxin-6-carboxylic acid,2,3-dihydro-8-methyl-

C10H10O4 (194.0579)


   

2-Amino-6-methoxy-4-methylbenzothiazole

2-Amino-6-methoxy-4-methylbenzothiazole

C9H10N2OS (194.0514)


   

7-chloro-4-methyl-3,4-dihydronaphthalen-1(2H)-one

7-chloro-4-methyl-3,4-dihydronaphthalen-1(2H)-one

C11H11ClO (194.0498)


   

3-(4-CHLOROPHENYL)CYCLOPENTANONE

3-(4-CHLOROPHENYL)CYCLOPENTANONE

C11H11ClO (194.0498)


   

Benzylmalonic Acid

Benzylmalonic Acid

C10H10O4 (194.0579)


   

(1-METHYL-3-THIEN-2-YL-1H-PYRAZOL-5-YL)METHANOL

(1-METHYL-3-THIEN-2-YL-1H-PYRAZOL-5-YL)METHANOL

C9H10N2OS (194.0514)


   

4-(2-PYRIMIDINYLOXY)BENZENECARBALDEHYDE

4-(2-PYRIMIDINYLOXY)BENZENECARBALDEHYDE

C6H6N6O2 (194.0552)


   

1H-Indene-3-acetonitrile,2-cyano-1-oxo-(9CI)

1H-Indene-3-acetonitrile,2-cyano-1-oxo-(9CI)

C12H6N2O (194.048)


   

Methyl 7-fluoro-1H-indazole-4-carboxylate

Methyl 7-fluoro-1H-indazole-4-carboxylate

C9H7FN2O2 (194.0492)


   

3,4-Dimethylpyrazole phosphate

3,4-Dimethyl-1H-pyrazole phosphate

C5H11N2O4P (194.0456)


   

methyl1-benzhydrylazetidine-2-carboxylate

methyl1-benzhydrylazetidine-2-carboxylate

C10H10O4 (194.0579)


   

p-Diacetoxybenzene

p-Diacetoxybenzene

C10H10O4 (194.0579)


   

methyl 6-fluoro-1h-indazole-3-carboxylate

methyl 6-fluoro-1h-indazole-3-carboxylate

C9H7FN2O2 (194.0492)


   

Methyl (3-formylphenoxy)acetate

Methyl (3-formylphenoxy)acetate

C10H10O4 (194.0579)


   

Methyl (2-formylphenoxy)acetate

Methyl (2-formylphenoxy)acetate

C10H10O4 (194.0579)


   

1H-Benzimidazole,2-[(methoxymethyl)thio]-(9CI)

1H-Benzimidazole,2-[(methoxymethyl)thio]-(9CI)

C9H10N2OS (194.0514)


   

Methyl 3-formyl-4-methoxybenzoate

Methyl 3-formyl-4-methoxybenzoate

C10H10O4 (194.0579)


   

3-(METHOXYCARBONYL)BICYCLO[2.2.1]HEPTA-2,5-DIENE-2-CARBOXYLIC ACID

3-(METHOXYCARBONYL)BICYCLO[2.2.1]HEPTA-2,5-DIENE-2-CARBOXYLIC ACID

C10H10O4 (194.0579)


   

1-(4-chlorophenyl)cyclobutane-1-carbaldehyde

1-(4-chlorophenyl)cyclobutane-1-carbaldehyde

C11H11ClO (194.0498)


   

4-ethoxy-1,3-benzothiazol-2-amine

4-ethoxy-1,3-benzothiazol-2-amine

C9H10N2OS (194.0514)


   

Ethanol, 2-(2-benzothiazolylamino)- (7CI,8CI,9CI)

Ethanol, 2-(2-benzothiazolylamino)- (7CI,8CI,9CI)

C9H10N2OS (194.0514)


   

1,2-Benzenediol,1,2-diacetate

1,2-Benzenediol,1,2-diacetate

C10H10O4 (194.0579)


   

([1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YLOXY)-ACETIC ACID

([1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YLOXY)-ACETIC ACID

C7H6N4O3 (194.044)


   

6-AMINO-2-METHYL-2H-1,4-BENZOTHIAZIN-3(4H)-ONE

6-AMINO-2-METHYL-2H-1,4-BENZOTHIAZIN-3(4H)-ONE

C9H10N2OS (194.0514)


   

1-(3,5-DIFLUOROPYRIDIN-2-YL)ETHANAMINE HYDROCHLORIDE

1-(3,5-DIFLUOROPYRIDIN-2-YL)ETHANAMINE HYDROCHLORIDE

C7H9ClF2N2 (194.0422)


   

N-(carbamothioylmethyl)benzamide

N-(carbamothioylmethyl)benzamide

C9H10N2OS (194.0514)


   

6-ETHOXY-BENZO[1,3]DIOXOLE-5-CARBALDEHYDE

6-ETHOXY-BENZO[1,3]DIOXOLE-5-CARBALDEHYDE

C10H10O4 (194.0579)


   

(S)-(+)-O-Acetyl-L-mandelic acid

(S)-(+)-O-Acetyl-L-mandelic acid

C10H10O4 (194.0579)


   

(-)-O-Acetyl-D-mandelic acid

(-)-O-Acetyl-D-mandelic acid

C10H10O4 (194.0579)


   

2-Chloro-1-(2,3-dihydro-1H-inden-5-yl)ethanone

2-Chloro-1-(2,3-dihydro-1H-inden-5-yl)ethanone

C11H11ClO (194.0498)


   

4-Hydroxyphenyl acetoacetate

4-Hydroxyphenyl acetoacetate

C10H10O4 (194.0579)


   

Thieno[2,3-b]pyridine-3-methanol,-alpha--(aminomethyl)- (9CI)

Thieno[2,3-b]pyridine-3-methanol,-alpha--(aminomethyl)- (9CI)

C9H10N2OS (194.0514)


   

2-(2,2,2-Trifluoroacetyl)cyclohexanone

2-(2,2,2-Trifluoroacetyl)cyclohexanone

C8H9F3O2 (194.0555)


   

5-METHOXY-2-(METHYLTHIO)BENZIMIDAZOLE

5-METHOXY-2-(METHYLTHIO)BENZIMIDAZOLE

C9H10N2OS (194.0514)


   

7-hydroxy-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxylic acid

7-hydroxy-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxylic acid

C7H6N4O3 (194.044)


   

2-(2-FORMYL-PHENOXY)-PROPIONIC ACID

2-(2-FORMYL-PHENOXY)-PROPIONIC ACID

C10H10O4 (194.0579)


   

2-tert-butylselanyl-2-methylpropane

2-tert-butylselanyl-2-methylpropane

C8H18Se (194.0574)


   

2-Benzothiazolamine,4-methoxy-7-methyl-(9CI)

2-Benzothiazolamine,4-methoxy-7-methyl-(9CI)

C9H10N2OS (194.0514)


   

3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPINE-6-CARBOXYLIC ACID

3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPINE-6-CARBOXYLIC ACID

C10H10O4 (194.0579)


   

2,6-dimethylterephthalic acid

2,6-dimethylterephthalic acid

C10H10O4 (194.0579)


   

Methyl 2-(4-formylphenoxy)acetate

Methyl 2-(4-formylphenoxy)acetate

C10H10O4 (194.0579)


   

methyl 2-(4-formyl-3-hydroxyphenyl)acetate

methyl 2-(4-formyl-3-hydroxyphenyl)acetate

C10H10O4 (194.0579)


   

Methyl 2-formyl-3-hydroxy-6-methylbenzoate

Methyl 2-formyl-3-hydroxy-6-methylbenzoate

C10H10O4 (194.0579)


   

1,3-Diacetoxybenzene

1,3-Diacetoxybenzene

C10H10O4 (194.0579)


   

Methyl acetylsalicylate

Acetylsalicylic acid methyl ester

C10H10O4 (194.0579)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

6-ISO-PROPYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE

6-ISO-PROPYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE

C9H10N2OS (194.0514)


   

3-[Chloro(dimethyl)silyl]propyl acetate

3-[Chloro(dimethyl)silyl]propyl acetate

C7H15ClO2Si (194.053)


   

(+/-)-Dihydrolipoic acid

(+/-)-Dihydrolipoic acid

C7H14O2S2 (194.0435)


   

2,3-diamino-6-(trifluoromethyl)-4(3H)-pyrimidinone

2,3-diamino-6-(trifluoromethyl)-4(3H)-pyrimidinone

C5H5F3N4O (194.0415)


   

4-OXIRANYLMETHOXY-BENZOIC ACID

4-OXIRANYLMETHOXY-BENZOIC ACID

C10H10O4 (194.0579)


   

methyl 4-fluoro-1H-indazole-5-carboxylate

methyl 4-fluoro-1H-indazole-5-carboxylate

C9H7FN2O2 (194.0492)


   

1-[1-(3-chlorophenyl)cyclopropyl]ethanone

1-[1-(3-chlorophenyl)cyclopropyl]ethanone

C11H11ClO (194.0498)


   

3-ACETOXY-4-METHYLBENZOIC ACID

3-ACETOXY-4-METHYLBENZOIC ACID

C10H10O4 (194.0579)


   

2-(3-acetyloxyphenyl)acetic acid

2-(3-acetyloxyphenyl)acetic acid

C10H10O4 (194.0579)


   

3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

C9H10N2OS (194.0514)


   

4-acetylphenoxyacetic acid

4-acetylphenoxyacetic acid

C10H10O4 (194.0579)


   

1-(4-Acetylphenyl)-2-thiourea

1-(4-Acetylphenyl)-2-thiourea

C9H10N2OS (194.0514)


   

3-Dicycanovinylindan-1-one

3-Dicycanovinylindan-1-one

C12H6N2O (194.048)


   

2-((BENZYLOXY)CARBONYL)ACETIC ACID

2-((BENZYLOXY)CARBONYL)ACETIC ACID

C10H10O4 (194.0579)


   

2-(3-(Methoxycarbonyl)phenyl)acetic acid

2-(3-(Methoxycarbonyl)phenyl)acetic acid

C10H10O4 (194.0579)


   

1,4-Phenylenediacetic Acid

1,4-Phenylenediacetic Acid

C10H10O4 (194.0579)


   

2-(3-Oxo-indan-1-ylidene)-malononitrile

2-(3-Oxo-indan-1-ylidene)-malononitrile

C12H6N2O (194.048)


   

guluronic acid

guluronic acid

C6H10O7 (194.0427)


   

2,3,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2,3,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C9H10N2OS (194.0514)


   

2-(3-CARBOXYPHENYL)PROPIONIC ACID

2-(3-CARBOXYPHENYL)PROPIONIC ACID

C10H10O4 (194.0579)


   

(S)-(+)-Phenylsuccinic acid

(S)-(+)-Phenylsuccinic acid

C10H10O4 (194.0579)


   

(2,3,5,6-Tetrafluoro-4-methylphenyl)hydrazine

(2,3,5,6-Tetrafluoro-4-methylphenyl)hydrazine

C7H6F4N2 (194.0467)


   

(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

C6H10O7 (194.0427)


   

1-chloro-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one

1-chloro-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one

C11H11ClO (194.0498)


   

2-Methyl-3-acetoxybenzoic acid

2-Methyl-3-acetoxybenzoic acid

C10H10O4 (194.0579)


   

7-methoxy-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde(SALTDATA: FREE)

7-methoxy-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde(SALTDATA: FREE)

C10H10O4 (194.0579)


   

METHYL 7-FLUORO-1H-INDAZOLE-3-CARBOXYLATE

METHYL 7-FLUORO-1H-INDAZOLE-3-CARBOXYLATE

C9H7FN2O2 (194.0492)


   

1H-Benzimidazol-2-amine,1-hydroxy-6-nitro-(9CI)

1H-Benzimidazol-2-amine,1-hydroxy-6-nitro-(9CI)

C7H6N4O3 (194.044)


   

4,6-diacetylresorcinol

4,6-diacetylresorcinol

C10H10O4 (194.0579)


   

Methyl 3-acetyl-4-hydroxybenzoate

Methyl 3-acetyl-4-hydroxybenzoate

C10H10O4 (194.0579)


   

4-FLUORO-2-(TRIFLUOROMETHYL)PHENYLHYDRAZINE

4-FLUORO-2-(TRIFLUOROMETHYL)PHENYLHYDRAZINE

C7H6F4N2 (194.0467)


   

1H-Benzimidazole-2-aceticacid,5-fluoro-(9CI)

1H-Benzimidazole-2-aceticacid,5-fluoro-(9CI)

C9H7FN2O2 (194.0492)


   

5-Ethoxy-1,3-dihydro-2H-benzimidazole-2-thione

5-Ethoxy-1,3-dihydro-2H-benzimidazole-2-thione

C9H10N2OS (194.0514)


   

1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid,2-amino-4,7-dihydro-4-oxo-,

1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid,2-amino-4,7-dihydro-4-oxo-,

C7H6N4O3 (194.044)


   

1H-Pyrrolo[3,2-d]pyrimidine-7-carboxylicacid,2-amino-4,5-dihydro-4-oxo-

1H-Pyrrolo[3,2-d]pyrimidine-7-carboxylicacid,2-amino-4,5-dihydro-4-oxo-

C7H6N4O3 (194.044)


   

5-Fluoro-1-methyl-1H-indazole-3-carboxylic acid

5-Fluoro-1-methyl-1H-indazole-3-carboxylic acid

C9H7FN2O2 (194.0492)


   

5,6,7,8-TETRAHYDRO-NAPHTHALENE-1-CARBONYL CHLORIDE

5,6,7,8-TETRAHYDRO-NAPHTHALENE-1-CARBONYL CHLORIDE

C11H11ClO (194.0498)


   

3-(4-HYDROXY-2-METHOXYPHENYL)ACRYLIC ACID

3-(4-HYDROXY-2-METHOXYPHENYL)ACRYLIC ACID

C10H10O4 (194.0579)


   

2-(Ethylsulfanyl)-1H-benzimidazol-6-ol

2-(Ethylsulfanyl)-1H-benzimidazol-6-ol

C9H10N2OS (194.0514)


   

2,3-Dihydro-alpha-hydroxy-5-benzofuranacetic acid

2,3-Dihydro-alpha-hydroxy-5-benzofuranacetic acid

C10H10O4 (194.0579)


   

5-Methoxy-2,3-dihydrobenzofuran-2-carboxylic acid

5-Methoxy-2,3-dihydrobenzofuran-2-carboxylic acid

C10H10O4 (194.0579)


   

alpha-L-Idopyranosyluronic acid

alpha-L-Idopyranosyluronic acid

C6H10O7 (194.0427)


   

Hexuronic acid

D-Galacturonic acid

C6H10O7 (194.0427)


   

L-Guluronic acid

L-Guluronic acid

C6H10O7 (194.0427)


   

beta-D-Mannopyranuronic acid

beta-D-Mannopyranuronic acid

C6H10O7 (194.0427)


   

alpha-L-Gulopyranuronic acid

alpha-L-Gulopyranuronic acid

C6H10O7 (194.0427)


   

3-(4-Methoxyphenyl)-2-oxopropanoic acid

3-(4-Methoxyphenyl)-2-oxopropanoic acid

C10H10O4 (194.0579)


   

4,6-Dimethoxy-phthalide

4,6-Dimethoxy-phthalide

C10H10O4 (194.0579)


   

5-Methyl-6-(2-thienyl)-2,3,4,5-tetrahydropyridazin-3-one

5-Methyl-6-(2-thienyl)-2,3,4,5-tetrahydropyridazin-3-one

C9H10N2OS (194.0514)


   

6-Methoxy-3-methyl-1,3-benzothiazol-2-imine

6-Methoxy-3-methyl-1,3-benzothiazol-2-imine

C9H10N2OS (194.0514)


   

2-Propenoic acid, 2-hydroxy-3-(4-methoxyphenyl)-, (2Z)-

2-Propenoic acid, 2-hydroxy-3-(4-methoxyphenyl)-, (2Z)-

C10H10O4 (194.0579)


   

3-(4-methoxyphenyl)oxirane-2-carboxylic Acid

3-(4-methoxyphenyl)oxirane-2-carboxylic Acid

C10H10O4 (194.0579)


   

2,4,6,8-Decatetraenedioic acid

Deca-2,4,6,8-tetraenedioic acid

C10H10O4 (194.0579)


   

Methyl(phenyl)malonic acid

Methyl(phenyl)malonic acid

C10H10O4 (194.0579)


   

Provitamin C

Provitamin C

C6H10O7 (194.0427)


   

4-Methylumbelliferone hydrate

4-Methylumbelliferone hydrate

C10H10O4 (194.0579)


   

Isophthalaldehyde, 5-ethoxy-4-hydroxy-

Isophthalaldehyde, 5-ethoxy-4-hydroxy-

C10H10O4 (194.0579)


   

2,4,7-Pteridinetriol, 6-methyl-

2,4,7-Pteridinetriol, 6-methyl-

C7H6N4O3 (194.044)


   

4-Methoxy-7-oxocyclohepta-1,3,5-trien-1-yl acetate

4-Methoxy-7-oxocyclohepta-1,3,5-trien-1-yl acetate

C10H10O4 (194.0579)


   

Alpha-D-Mannopyranuronic Acid

Alpha-D-Mannopyranuronic Acid

C6H10O7 (194.0427)


   

25249-06-3

(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-keto-hexanoic acid

C6H10O7 (194.0427)


   

D-Glucuronic acid

(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-keto-hexanoic acid

C6H10O7 (194.0427)


D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1]. D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1].

   

AI3-02246

1,4-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER (TEREPHTHALATEDIMETHYLESTER)

C10H10O4 (194.0579)


D004785 - Environmental Pollutants > D012989 - Soil Pollutants D010575 - Pesticides > D007302 - Insect Repellents D020011 - Protective Agents D016573 - Agrochemicals

   

Acetovanillin

acetic acid (4-formyl-2-methoxy-phenyl) ester

C10H10O4 (194.0579)


   

Mipax

BENZENE,1,2-DICARBOXYLIC ACID,DIMETHYL ESTER (PHTHALIC ACID,DIMETHYL ESTER)

C10H10O4 (194.0579)


P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents D010575 - Pesticides > D007302 - Insect Repellents D020011 - Protective Agents D016573 - Agrochemicals D005404 - Fixatives

   

537-73-5

3-Hydroxy-4-methoxycinnamic acid, predominantly trans

C10H10O4 (194.0579)


Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. trans-Isoferulic acid (trans-3-Hydroxy-4-methoxycinnamic acid) is an aromatic acid isolated from the roots of Clematis florida var. plena. trans-Isoferulic acid exhibits anti-inflammatory activity[1].trans-isoferulic acid suppresses NO and PGE2 production through the induction of Nrf2-dependent heme oxygenase-1 (HO-1)[2]. trans-Isoferulic acid (trans-3-Hydroxy-4-methoxycinnamic acid) is an aromatic acid isolated from the roots of Clematis florida var. plena. trans-Isoferulic acid exhibits anti-inflammatory activity[1].trans-isoferulic acid suppresses NO and PGE2 production through the induction of Nrf2-dependent heme oxygenase-1 (HO-1)[2].

   

CHEBI:42717

(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid

C6H10O7 (194.0427)


   

2-(Acetyloxy)-3-Methylbenzoic Acid

2-(Acetyloxy)-3-Methylbenzoic Acid

C10H10O4 (194.0579)


   

(2S,3R,4S,5R)-5-Carboxy-2,3,4,5-tetrahydroxypentanal

(2S,3R,4S,5R)-5-Carboxy-2,3,4,5-tetrahydroxypentanal

C6H10O7 (194.0427)


   

L-idopyranuronic acid

(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

C6H10O7 (194.0427)


The L-stereoisomer of idopyranuronic acid.

   

(2S,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoic acid

(2S,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoic acid

C6H10O7 (194.0427)


   

4-Deoxyglucarate

4-Deoxyglucarate

C6H10O7 (194.0427)


   

2-(N-Morpholino)ethanesulfonate

2-(N-Morpholino)ethanesulfonate

C6H12NO4S- (194.0487)


   

4-(6-Hydroxypyridin-3-yl)-4-oxobutyrate

4-(6-Hydroxypyridin-3-yl)-4-oxobutyrate

C9H8NO4- (194.0453)


   

3-Acetylamino-4-hydroxybenzoate

3-Acetylamino-4-hydroxybenzoate

C9H8NO4- (194.0453)


   

(2R,3S,4S,5R,6S)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid

(2R,3S,4S,5R,6S)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid

C6H10O7 (194.0427)


   

beta-D-fructuronic acid

beta-D-fructuronic acid

C6H10O7 (194.0427)


   

beta-Iduronic acid

beta-Iduronic acid

C6H10O7 (194.0427)


   

alpha-Iduronic acid

alpha-Iduronic acid

C6H10O7 (194.0427)


   

(2S,3R,4R,5S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

(2S,3R,4R,5S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

C6H10O7 (194.0427)


   

(2S)-5,6-dihydroxy-2,3-dihydro-1H-indole-2-carboxylate

(2S)-5,6-dihydroxy-2,3-dihydro-1H-indole-2-carboxylate

C9H8NO4- (194.0453)


   

alpha-D-fructuronic acid

alpha-D-fructuronic acid

C6H10O7 (194.0427)


   

5-Acetamido-2-hydroxybenzoate

5-Acetamido-2-hydroxybenzoate

C9H8NO4- (194.0453)


   

beta-oxo-L-tyrosine

beta-oxo-L-tyrosine

C9H8NO4- (194.0453)


   

N,N-dihydroxyhomomethionine

N,N-dihydroxyhomomethionine

C6H12NO4S- (194.0487)


   

CID 54177125

CID 54177125

C10H10O4 (194.0579)


   

3-[2-(Hydroxyamino)phenyl]-3-oxopropanoate

3-[2-(Hydroxyamino)phenyl]-3-oxopropanoate

C9H8NO4- (194.0453)


   

(2Z)-2-amino-3-hydroxy-3-(4-hydroxyphenyl)prop-2-enoate

(2Z)-2-amino-3-hydroxy-3-(4-hydroxyphenyl)prop-2-enoate

C9H8NO4- (194.0453)


   

4-Hydroxymellein, (3S-cis)-

4-Hydroxymellein, (3S-cis)-

C10H10O4 (194.0579)


   

Alpha-D-Talopyranuronic Acid

Alpha-D-Talopyranuronic Acid

C6H10O7 (194.0427)


   

alpha-L-glucopyranuronic acid

alpha-L-glucopyranuronic acid

C6H10O7 (194.0427)


A L-glucopyranuronic acid with an alpha-configuration at the anomeric position.

   

L-glucopyranuronic acid

L-glucopyranuronic acid

C6H10O7 (194.0427)


The pyranose form of L-glucuronic acid.

   

m-Hydroxyhippurate

m-Hydroxyhippurate

C9H8NO4- (194.0453)


A monocarboxylic acid anion that is the conjugate base of m-hydroxyhippuric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

4-Hydroxyhippurate

4-Hydroxyhippurate

C9H8NO4- (194.0453)


   

4-(2,4,7-Trioxa-bicyclo[4.1.0]heptan-3-yl)phenol

4-(2,4,7-Trioxa-bicyclo[4.1.0]heptan-3-yl)phenol

C10H10O4 (194.0579)


A cyclic acetal resulting from the formal condensation of the aldehydic group of p-hydroxybenzaldehyde with the hydroxy groups of 1,2-epoxypropane-1,3-diol. Isolated from Pestalotiopsis mangiferae, an endophytic fungus associated with the mango (Mangifera indica), it shows potent antibacterial and antifungal activity against E. coli, Bacillus subtilis, Klebsiella pneumoniae, Micrococcus luteus, Pseudomonas aeruginosa and Candida albicans.

   

3-dehydro-D-gluconic acid

3-dehydro-D-gluconic acid

C6H10O7 (194.0427)


   

4-Acetamidosalicylate

4-Acetamidosalicylate

C9H8NO4- (194.0453)


   

7-Carboxy-7-carbaguanine

7-Carboxy-7-carbaguanine

C7H6N4O3 (194.044)


   

(Alginate)n

(Alginate)n

C6H10O7 (194.0427)


   

Ortho-hydroxyhippurate

Ortho-hydroxyhippurate

C9H8NO4- (194.0453)


   

N-(2-hydroxyphenyl)malonamate

N-(2-hydroxyphenyl)malonamate

C9H8NO4- (194.0453)


   

(Z)-2-hydroxy-3-(3-methoxyphenyl)prop-2-enoic Acid

(Z)-2-hydroxy-3-(3-methoxyphenyl)prop-2-enoic Acid

C10H10O4 (194.0579)


   

dimethyl-d6 phthalate

dimethyl-d6 phthalate

C10H10O4 (194.0579)


   

1,3-Dimethylpurine-2,6,8-trione

1,3-Dimethylpurine-2,6,8-trione

C7H6N4O3 (194.044)


   

2,4-Diformyl-3-methyl-6-methoxyphenol

2,4-Diformyl-3-methyl-6-methoxyphenol

C10H10O4 (194.0579)


   

Isophthalic acid dimethyl ester (D6)

Isophthalic acid dimethyl ester (D6)

C10H10O4 (194.0579)


   

Terephthalic acid dimethyl ester (D6)

Terephthalic acid dimethyl ester (D6)

C10H10O4 (194.0579)


   

2-[(1-Oxo-2,4,6-cycloheptatrien-2-yl)oxy]acetic acid methyl ester

2-[(1-Oxo-2,4,6-cycloheptatrien-2-yl)oxy]acetic acid methyl ester

C10H10O4 (194.0579)


   

3-Dehydro-L-gulonate

3-Dehydro-L-gulonate

C6H10O7 (194.0427)


   

5-Keto-D-gluconic acid

5-Keto-D-gluconic acid

C6H10O7 (194.0427)


   

D-fructofuranuronic acid

D-fructofuranuronic acid

C6H10O7 (194.0427)


   

L-Iduronic acid

L-Iduronic acid

C6H10O7 (194.0427)


   

5-dehydro-L-gluconic acid

L-xylo-[5]hexulosonic acid

C6H10O7 (194.0427)


A ketogluconic acid that is L-gluconic acid in which the hydroxy group at position 2 has been oxidised to the corresponding ketone.

   

Aldehydo-D-galacturonic acid

Aldehydo-D-galacturonic acid

C6H10O7 (194.0427)


   

alpha-D-Glucopyranuronic acid

alpha-D-Glucopyranuronic acid

C6H10O7 (194.0427)


   

Aldehydo-L-iduronic acid

Aldehydo-L-iduronic acid

C6H10O7 (194.0427)


The open-chain aldehydo-form of L-iduronic acid.

   

D-tagaturonic acid

D-tagaturonic acid

C6H10O7 (194.0427)


   

Piperonyl acetate

Piperonyl acetate

C10H10O4 (194.0579)


   

2-keto-L-gluconate

2-keto-l-gulonic acid

C6H10O7 (194.0427)


   

2,3,4,6-tetrahydroxy-5-oxohexanoic acid

2,3,4,6-tetrahydroxy-5-oxohexanoic acid

C6H10O7 (194.0427)


   

2,5-Dihydroxycinnamic acid methyl ester

2,5-Dihydroxycinnamic acid methyl ester

C10H10O4 (194.0579)


A cinnamate ester that is the methyl ester of 2,5-dihydroxycinnamic acid.

   

Methyl 2,5-dihydroxycinnamate

Methyl (2E)-3-(2,5-dihydroxyphenyl)acrylate

C10H10O4 (194.0579)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors

   

3-Methyl-4,8-dihydroxy-3,4-dihydroisocoumarin

3-Methyl-4,8-dihydroxy-3,4-dihydroisocoumarin

C10H10O4 (194.0579)


   

cis-ferulic acid

cis-ferulic acid

C10H10O4 (194.0579)


A ferulic acid consisting of cis-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D000975 - Antioxidants > D016166 - Free Radical Scavengers D006401 - Hematologic Agents > D000925 - Anticoagulants D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

   

3-(benzyloxy)-3-oxopropanoic acid

3-(benzyloxy)-3-oxopropanoic acid

C10H10O4 (194.0579)


A dicarboxylic acid monoester obtained by the formal condensation of one of the carboxy groups of malonic acid with benzyl alcohol.

   

2-Hydroxy-3-methoxycinnamic acid

2-Hydroxy-3-methoxycinnamic acid

C10H10O4 (194.0579)


   

L-Altruronic acid

L-Altruronic acid

C6H10O7 (194.0427)


   

6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione

6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione

C7H6N4O3 (194.044)


   

3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C10H10O4 (194.0579)


   

3-(3-Hydroxy-4-methoxy-phenyl)-acrylic acid

3-(3-Hydroxy-4-methoxy-phenyl)-acrylic acid

C10H10O4 (194.0579)


   

Deca-2,4,6,8-tetraenedioic acid

Deca-2,4,6,8-tetraenedioic acid

C10H10O4 (194.0579)


   

p-Hydroxyhippurate

p-Hydroxyhippurate

C9H8NO4 (194.0453)


A monocarboxylic acid anion that is the conjugate base of p-hydroxyhippuric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

Deca-4,6,8-triyne-1,1,2,3-tetraol

Deca-4,6,8-triyne-1,1,2,3-tetraol

C10H10O4 (194.0579)


   

Salicylurate

Salicylurate

C9H8NO4 (194.0453)


A monocarboxylic acid anion that is the conjugate base of salicyluric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

alpha-L-iduronic acid

alpha-L-iduronic acid

C6H10O7 (194.0427)


A L-idopyranuronic acid with an alpha-configuration at the anomeric position.

   

5-dehydro-D-gluconic acid

5-dehydro-D-gluconic acid

C6H10O7 (194.0427)


   

D-Galactopyranuronic acid

D-Galactopyranuronic acid

C6H10O7 (194.0427)


The pyranose form of D-galacturonic acid

   

D-Mannopyranuronic acid

D-Mannopyranuronic acid

C6H10O7 (194.0427)


The pyranose form of D-mannonic acid.

   

3-Dehydro-L-gulonic acid

3-Dehydro-L-gulonic acid

C6H10O7 (194.0427)


A derivative of L-gulonic acid having a keto group at the 3-position.

   

4-Hydroxymellein

4-Hydroxymellein

C10H10O4 (194.0579)


An isochromane that is mellein bearing a hydroxy group at position 4.

   

2-dehydro-L-gluconic acid

2-dehydro-L-gluconic acid

C6H10O7 (194.0427)


A ketogluconic acid that is L-gluconic acid in which the hydroxy group at position 2 has been oxidized to a keto group.

   

beta-D-glucuronic acid

beta-D-glucuronic acid

C6H10O7 (194.0427)


A D-glucopyranuronic acid in which the anomeric centre has beta-configuration.

   

alpha-D-Glucuronic acid

alpha-D-Glucuronic acid

C6H10O7 (194.0427)


A D-glucopyranuronic acid in which the anomeric centre has alpha-configuration.

   

Phenylsuccinate

Phenylsuccinate

C10H10O4 (194.0579)


   

Dehydro-gluconic acid

Dehydro-gluconic acid

C6H10O7 (194.0427)


   

Keto-gulonic acid

Keto-gulonic acid

C6H10O7 (194.0427)


   

Hydroxyconiferaldehyde

Hydroxyconiferaldehyde

C10H10O4 (194.0579)


   

methyl 3-(2,4-dihydroxyphenyl)prop-2-enoate

methyl 3-(2,4-dihydroxyphenyl)prop-2-enoate

C10H10O4 (194.0579)


   

(3s-cis)-4-hydroxymellein

(3s-cis)-4-hydroxymellein

C10H10O4 (194.0579)


   

(2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

(2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

C6H10O7 (194.0427)


   

4-hydroxy-6-methoxy-5-methyl-3h-2-benzofuran-1-one

4-hydroxy-6-methoxy-5-methyl-3h-2-benzofuran-1-one

C10H10O4 (194.0579)


   

2,4,5-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

2,4,5-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

C10H10O4 (194.0579)


   

7-hydroxy-3-(1-hydroxyethyl)-3h-2-benzofuran-1-one

7-hydroxy-3-(1-hydroxyethyl)-3h-2-benzofuran-1-one

C10H10O4 (194.0579)


   

5,6-dihydroxy-2-methyl-2,3-dihydro-1-benzopyran-4-one

5,6-dihydroxy-2-methyl-2,3-dihydro-1-benzopyran-4-one

C10H10O4 (194.0579)


   

3,4,5-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

3,4,5-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

C10H10O4 (194.0579)


   

[(1s)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]acetic acid

[(1s)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]acetic acid

C10H10O4 (194.0579)


   

3-ethyl-6,7-dihydroxy-3h-2-benzofuran-1-one

3-ethyl-6,7-dihydroxy-3h-2-benzofuran-1-one

C10H10O4 (194.0579)


   

3-(5-hydroxy-2-methoxyphenyl)prop-2-enoic acid

3-(5-hydroxy-2-methoxyphenyl)prop-2-enoic acid

C10H10O4 (194.0579)


   

(2s,3s,5s)-2,3,5-trihydroxyhexanedioic acid

(2s,3s,5s)-2,3,5-trihydroxyhexanedioic acid

C6H10O7 (194.0427)


   

(3z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxiran-2-ol

(3z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxiran-2-ol

C10H10O4 (194.0579)


   

3-(5-methyl-6-oxopyran-2-yl)but-2-enoic acid

3-(5-methyl-6-oxopyran-2-yl)but-2-enoic acid

C10H10O4 (194.0579)


   

(3r)-3,6,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

(3r)-3,6,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

C10H10O4 (194.0579)


   

(3s,4s)-3,4,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

(3s,4s)-3,4,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

C10H10O4 (194.0579)


   

7-hydroxy-6-methoxy-3,4-dihydro-1-benzopyran-2-one

7-hydroxy-6-methoxy-3,4-dihydro-1-benzopyran-2-one

C10H10O4 (194.0579)


   

(4s)-4,5,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

(4s)-4,5,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

C10H10O4 (194.0579)


   

5,7-dihydroxy-4,6-dimethyl-3h-2-benzofuran-1-one

5,7-dihydroxy-4,6-dimethyl-3h-2-benzofuran-1-one

C10H10O4 (194.0579)


   

(2r)-2,7-dihydroxy-2,4-dimethyl-1-benzofuran-3-one

(2r)-2,7-dihydroxy-2,4-dimethyl-1-benzofuran-3-one

C10H10O4 (194.0579)


   

D-(+)-Galacturonic acid monohydrate

D-(+)-Galacturonic acid monohydrate

C6H10O7 (194.0427)


   

D-(+)-Glucuronic acid γ-lactone

D-(+)-Glucuronic acid γ-lactone

C6H10O7 (194.0427)


   

3-(2-hydroxy-4-methoxy-phenyl)acrylic acid

3-(2-hydroxy-4-methoxy-phenyl)prop-2-enoic acid; 3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid; (E)-3-(2-hydroxy-4-methoxy-phenyl)acrylic acid; (E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid; (E)-3-(2-hydroxy-4-methoxy-phenyl)prop-2-enoic acid

C10H10O4 (194.0579)


{"Ingredient_id": "HBIN007043","Ingredient_name": "3-(2-hydroxy-4-methoxy-phenyl)acrylic acid","Alias": "3-(2-hydroxy-4-methoxy-phenyl)prop-2-enoic acid; 3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid; (E)-3-(2-hydroxy-4-methoxy-phenyl)acrylic acid; (E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid; (E)-3-(2-hydroxy-4-methoxy-phenyl)prop-2-enoic acid","Ingredient_formula": "C10H10O4","Ingredient_Smile": "COC1=CC(=C(C=C1)C=CC(=O)O)O","Ingredient_weight": "194.18","OB_score": "104.7924514","CAS_id": "16202-50-9","SymMap_id": "SMIT12893","TCMID_id": "NA","TCMSP_id": "MOL012087","TCM_ID_id": "NA","PubChem_id": "12840862","DrugBank_id": "NA"}

   

3ξ-(1ξ-hydroxyethyl)-7-hydroxy-1-isobenzo-furanone

NA

C10H10O4 (194.0579)


{"Ingredient_id": "HBIN009775","Ingredient_name": "3\u03be-(1\u03be-hydroxyethyl)-7-hydroxy-1-isobenzo-furanone","Alias": "NA","Ingredient_formula": "C10H10O4","Ingredient_Smile": "CC(C1C2=C(C(=CC=C2)O)C(=O)O1)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10103","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1s,2r,5z,8e,10r)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione

(1s,2r,5z,8e,10r)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione

C10H10O4 (194.0579)


   

3,8-dihydroxy-3-methyl-4h-2-benzopyran-1-one

3,8-dihydroxy-3-methyl-4h-2-benzopyran-1-one

C10H10O4 (194.0579)


   

(3s)-7,8-dihydroxy-3-methyl-3,4-dihydro-2-benzopyran-1-one

(3s)-7,8-dihydroxy-3-methyl-3,4-dihydro-2-benzopyran-1-one

C10H10O4 (194.0579)


   

(3r,4r)-3,4,5-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

(3r,4r)-3,4,5-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

C10H10O4 (194.0579)


   

(3r,4s)-3,4,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

(3r,4s)-3,4,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

C10H10O4 (194.0579)


   

pyranose formβ-l-iduronic acid

pyranose formβ-l-iduronic acid

C6H10O7 (194.0427)


   

(3r,4r)-3,4,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

(3r,4r)-3,4,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one

C10H10O4 (194.0579)


   

5,8-dihydroxy-3-methyl-3,4-dihydro-2-benzopyran-1-one

5,8-dihydroxy-3-methyl-3,4-dihydro-2-benzopyran-1-one

C10H10O4 (194.0579)


   

3-ethyl-5,6-dihydroxy-3h-2-benzofuran-1-one

3-ethyl-5,6-dihydroxy-3h-2-benzofuran-1-one

C10H10O4 (194.0579)


   

1-(7-hydroxy-2h-1,3-benzodioxol-5-yl)propan-1-one

1-(7-hydroxy-2h-1,3-benzodioxol-5-yl)propan-1-one

C10H10O4 (194.0579)


   

(3s)-3-ethyl-5,6-dihydroxy-3h-2-benzofuran-1-one

(3s)-3-ethyl-5,6-dihydroxy-3h-2-benzofuran-1-one

C10H10O4 (194.0579)


   

2-ketogluconic acid

2-ketogluconic acid

C6H10O7 (194.0427)