Exact Mass: 194.0691
Exact Mass Matches: 194.0691
Found 500 metabolites which its exact mass value is equals to given mass value 194.0691,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
D-Pinitol
Widely distributed in plants. Pinitol is a cyclitol, a cyclic polyol. It is a known anti-diabetic agent isolated from Sutherlandia frutescens leaves. D-Pinitol is a biomarker for the consumption of soy beans and other soy products. D-Pinitol is found in many foods, some of which are ginkgo nuts, carob, soy bean, and common pea. D-Pinitol is found in carob. D-Pinitol is widely distributed in plants.Pinitol is a cyclitol, a cyclic polyol. It is a known anti-diabetic agent isolated from Sutherlandia frutescens leaves. (Wikipedia). D-Pinitol is a biomarker for the consumption of soy beans and other soy products. D-pinitol (3-O-Methyl-D-chiro-inositol) is a natural compound presented in several plants, like Pinaceae and Leguminosae plants. D-pinitol exerts hypoglycemic activity and protective effects in the cardiovascular system[1][2]. D-pinitol has antiviral and larvicidal activities[3]. D-pinitol (3-O-Methyl-D-chiro-inositol) is a natural compound presented in several plants, like Pinaceae and Leguminosae plants. D-pinitol exerts hypoglycemic activity and protective effects in the cardiovascular system[1][2]. D-pinitol has antiviral and larvicidal activities[3].
L-Quebrachitol
L-Quebrachitol is a member of cyclohexanols. L-Quebrachitol is a natural product found in Croton cortesianus, Hippophae rhamnoides, and other organisms with data available. Widely distributed in plants. L-Quebrachitol is found in mugwort and sea-buckthornberry. L-Quebrachitol is found in mugwort. L-Quebrachitol is widely distributed in plant L-Quebrachitol is a natural product isolated from many plants, promotes osteoblastogenesis by uppregulation of BMP-2, runt-related transcription factor-2 (Runx2), MAPK (ERK, JNK, p38α), and Wnt/β-catenin signaling pathway[1]. L-Quebrachitol is a natural product isolated from many plants, promotes osteoblastogenesis by uppregulation of BMP-2, runt-related transcription factor-2 (Runx2), MAPK (ERK, JNK, p38α), and Wnt/β-catenin signaling pathway[1].
Sequoyitol
1D-5-O-methyl-myo-inositol is a member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1R,2S,3r,4R,5S,6r-stereoisomer). It has a role as a plant metabolite. Sequoyitol is a natural product found in Podocarpus sellowii, Aristolochia gigantea, and other organisms with data available. Occurs in all gymnosperms and two families of dicotyledonsand is also isolated from ferns Nephrolepis auriculata and Nephrolepis biserrata. Sequoyitol is found in soy bean and ginkgo nuts. Sequoyitol is found in ginkgo nuts. Sequoyitol occurs in all gymnosperms and two families of dicotyledons. Also isolated from ferns Nephrolepis auriculata and Nephrolepis biserrat Sequoyitol (5-O-Methyl-myo-inositol) is isolated from plants. Sequoyitol (5-O-Methyl-myo-inositol) decreases blood glucose, improves glucose intolerance, and is used to treat diabetes[1]. Sequoyitol (5-O-Methyl-myo-inositol) is isolated from plants. Sequoyitol (5-O-Methyl-myo-inositol) decreases blood glucose, improves glucose intolerance, and is used to treat diabetes[1].
Dimethyl phthalate
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
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].
9-Hydroxyphenanthrene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Methyl caffeate
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].
Methyl beta-D-glucopyranoside
Methyl beta-D-glucopyranoside is found in cereals and cereal products. Methyl beta-D-glucopyranoside is present in Medicago sativa (alfalfa Methyl β-D-Galactopyranoside is an endogenous metabolite.
4-Aminohippuric acid
4-Aminohippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:. acyl-CoA + glycine < -- > CoA + N-acylglycine. Renal proximal tubules secrete various organic anions, including drugs and p-aminohippurate (PAH). Uptake of PAH from blood into tubule cells occurs by exchange with intracellular alpha-ketoglutarate and is mediated by the organic anion transporter 1. PAH exit into tubule lumen is species specific and may involve ATP-independent and -dependent transporters. (PMID 11443229). Enhanced secretion of p-aminohippuric acid occurs in Fanconis syndrome (FS). FS is associated with numerous varieties of inherited and acquired conditions; FS is characterized by a generalized transport defect in the proximal tubules, leading to renal losses of glucose, phosphate, calcium, uric acid, amino acids, bicarbonates, and other organic compounds. (PMID 12552490). 4-Aminohippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CH - Tests for renal function and ureteral injuries D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents 4-Aminohippuric acid is a diagnostic agent used in renal testing and is used in the determination of renal plasma flow.
D-4-O-Methyl-myo-inositol
The D- form is Isolated from Ononis subspecies, Vigna catjang, Kiggelaria africana, Medicago sativa (alfalfa), Leucaena glauca and others [CCD]. D-4-O-Methyl-myo-inositol is found in common pea. D-4-O-Methyl-myo-inositol is isolated from Vigna catjang and Medicago sativa (alfalfa
(-)-Bornesitol
(-)-Bornesitol is found in borage. (-)-Bornesitol occurs in several families of Dicotyledons (CCD).Bornesitol is a cyclitol. It can be found in the gentianaceae and menyanthaceae plant families. Chemically, it is a methyl ether of D-myo-inositol. (Wikipedia Occurs in several families of Dicotyledons (CCD)
1-Hydroxyphenanthrene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
4-Aminohippuric acid
ATC code: V04CH30 4-Aminohippuric acid is a diagnostic agent used in renal testing and is used in the determination of renal plasma flow.
Vanillin acetate
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).
Pinitol
D-pinitol is the D-enantiomer of pinitol. It has a role as a geroprotector and a member of compatible osmolytes. It is functionally related to a 1D-chiro-inositol. It is an enantiomer of a L-pinitol. Methylinositol has been used in trials studying the treatment of Dementia and Alzheimers Disease. D-Pinitol is a natural product found in Aegialitis annulata, Senna macranthera var. micans, and other organisms with data available. A member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1R,2S,3S,4S,5S,6S-isomer). D-pinitol (3-O-Methyl-D-chiro-inositol) is a natural compound presented in several plants, like Pinaceae and Leguminosae plants. D-pinitol exerts hypoglycemic activity and protective effects in the cardiovascular system[1][2]. D-pinitol has antiviral and larvicidal activities[3]. D-pinitol (3-O-Methyl-D-chiro-inositol) is a natural compound presented in several plants, like Pinaceae and Leguminosae plants. D-pinitol exerts hypoglycemic activity and protective effects in the cardiovascular system[1][2]. D-pinitol has antiviral and larvicidal activities[3].
Dimethyl_phthalate
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
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
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.
(-)-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 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
2-Hydroxyphenanthrene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
Repandiol
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
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.
2,5-Dihydroxycinnamic acid methyl ester
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
Piperonyl acetate
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)
3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol
3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol is a flavour ingredient for roast meat, poultry, soups and baked goods. Flavour ingredient for roast meat, poultry, soups and baked goods
mono-Benzyl malonate
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.
Pyridylacetylglycine
Pyridylacetylglycine is a metabolite of nicotine, an alkaloid found in the nightshade family of plants (Solanaceae) that acts as a nicotinic acetylcholine receptor agonist.
3-Hydroxyphenanthrene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
4-Hydroxyphenanthrene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
1D-5-O-Methyl-chiro-inositol
1D-5-O-Methyl-chiro-inositol is also known as D-quebrachitol or caesalpinitol. 1D-5-O-Methyl-chiro-inositol is considered to be soluble (in water) and relatively neutral.
cis-Ferulic acid
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 alpha-D-galactopyranoside
Present in Medicago sativa (alfalfa). Methyl beta-D-glucopyranoside is found in cereals and cereal products.
(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 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
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.
D-ononitol
D-ononitol is a member of the class of compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. D-ononitol is soluble (in water) and a very weakly acidic compound (based on its pKa). D-ononitol can be found in a number of food items such as blackcurrant, sour cherry, strawberry guava, and epazote, which makes D-ononitol a potential biomarker for the consumption of these food products. D-ononitol is a cyclitol. It is a 4-O-methyl-myo-inositol and is a constituent of Medicago sativa .
Isoferulic acid
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
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].
Sequoyitol
1D-5-O-methyl-myo-inositol is a member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1R,2S,3r,4R,5S,6r-stereoisomer). It has a role as a plant metabolite. Sequoyitol is a natural product found in Podocarpus sellowii, Aristolochia gigantea, and other organisms with data available. Sequoyitol (5-O-Methyl-myo-inositol) is isolated from plants. Sequoyitol (5-O-Methyl-myo-inositol) decreases blood glucose, improves glucose intolerance, and is used to treat diabetes[1]. Sequoyitol (5-O-Methyl-myo-inositol) is isolated from plants. Sequoyitol (5-O-Methyl-myo-inositol) decreases blood glucose, improves glucose intolerance, and is used to treat diabetes[1].
E-Ferulic acid
(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].
DIMETHYL ISOPHTHALATE
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
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
4-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxamide
5-Methoxy-6-methyl-7-hydroxyisobenzofuran-1(3H)-one
4-Hydroxy-6-methoxy-5-methyl-1(3H)-isobenzofuranone
2,6-dihydroxy-2,4-dimethyl-3(2H)-benzofuranone|solutin
7-Deoxy-D-glycero-D-gluco-heptose,9CI,8CI|7-Deoxy-L-glycero-D-gluco-heptose
2-Deoxy-D-arabino-hexonsaeure-methylester|2-Deoxy-D-glukonsaeuremethylester|2-Desoxy-D-arabino-hexonsaeuremethylester|Methyl-2-desoxy-D-arabino-hexonat
(Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid methyl ester
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
6-deoxy-6-methoxy-alpha-D-fructose|6-O-methyl-alpha-D-fructofuranoside|alpha-D-6-O-methylfructofuranose
Carbamic acid, (aminocarbonyl)-, phenylmethyl ester
Me glycoside -beta-D-Pyranose-2-C-Hydroxymethylribose
D-Pinitol
The D-enantiomer of pinitol. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.051 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.050
quebrachitol
L-Quebrachitol is a natural product isolated from many plants, promotes osteoblastogenesis by uppregulation of BMP-2, runt-related transcription factor-2 (Runx2), MAPK (ERK, JNK, p38α), and Wnt/β-catenin signaling pathway[1]. L-Quebrachitol is a natural product isolated from many plants, promotes osteoblastogenesis by uppregulation of BMP-2, runt-related transcription factor-2 (Runx2), MAPK (ERK, JNK, p38α), and Wnt/β-catenin signaling pathway[1].
Methyl galactoside
Methyl β-D-Galactopyranoside is an endogenous metabolite.
Aminohippuric acid
An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow. V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CH - Tests for renal function and ureteral injuries D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents ATC code: V04CH30 4-Aminohippuric acid is a diagnostic agent used in renal testing and is used in the determination of renal plasma flow.
2-Pyridylacetylglycine
An N-acylglycine in which the acyl group is specified as 2-pyridylacetyl.
pinitol
D-pinitol (3-O-Methyl-D-chiro-inositol) is a natural compound presented in several plants, like Pinaceae and Leguminosae plants. D-pinitol exerts hypoglycemic activity and protective effects in the cardiovascular system[1][2]. D-pinitol has antiviral and larvicidal activities[3]. D-pinitol (3-O-Methyl-D-chiro-inositol) is a natural compound presented in several plants, like Pinaceae and Leguminosae plants. D-pinitol exerts hypoglycemic activity and protective effects in the cardiovascular system[1][2]. D-pinitol has antiviral and larvicidal activities[3].
7-chloro-1-(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine
(1S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile,hydrochloride
1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile hydrochloride
3,4-dihydro-2h-1,5-benzodioxepine-7-carboxylic acid
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid methyl ester
(R)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile hydrochloride
1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBONITRILE HYDROCHLORIDE
2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid
Carbamic acid,(4-methyl-2-nitrophenyl)-, methyl ester (9CI)
1,2,3,4-TETRAHYDRO-4-(TRIFLUOROMETHYL)PYRIDINE-5-CARBOXAMIDE
7a-(Trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-a]imidazol-5(6H)-one
N-[2-amino-1-(1,3-benzodioxol-5-yl)ethylidene]hydroxylamine
METHYL 4-OXO-4,5,6,7-TETRAHYDROBENZOFURAN-3-CARBOXYLATE
2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-6-HYDROXY-
2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-7-HYDROXY-, (S)-
1,4-Benzodioxin-6-carboxylic acid,2,3-dihydro-8-methyl-
6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Propanedinitrile, 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-
1,4-Benzodioxin-2-carboxylicacid, 2,3-dihydro-, hydrazide
1-[4-(methylsulfonyl)-2-morpholinyl]methanamine(SALTDATA: HCl)
METHYL 5-OXO-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLATE
1H-Benzimidazole,2-(chloromethyl)-1,5-dimethyl-(9CI)
2-(5-Chloro-1H-indol-3-yl)ethanamine hydrochloride
Pyrrolo[3,4:3,4]pyrazolo[1,5-a]benzimidazole (9CI)
Methyl 4-[amino(hydroxyimino)methyl]-benzenecarboxylate
(S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile hydrochloride
3-(N-hydroxycarbamimidoyl)-benzoic acid methyl ester
(2R)-rel-6-Fluoro-3,4-dihydro-2-[(2S)-2-oxiranyl]-2H-1-benzopyran
4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid
(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol
(2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
3-Pyridylacetylglycine
An N-acylglycine in which the acyl group is specified as 3-pyridylacetyl.
[(3R,4S)-4-hydroxy-3-methyl-2-oxohexyl]phosphinic acid
Methyl-alpha-D-fructofuranoside
1D-5-O-Methyl-chiro-inositol
A cyclitol ether formed by etherification of the 5-hydroxy group of 1D-chiro-inositol.
6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione
D-galactosaminate
A galactosaminate that is the conjugate base of D-galactosaminic acid.
(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate
(2R,4R,5S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
(2R,4R,5R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
Quebrachitol
L-Quebrachitol is a member of cyclohexanols. L-Quebrachitol is a natural product found in Croton cortesianus, Hippophae rhamnoides, and other organisms with data available. L-Quebrachitol is a natural product isolated from many plants, promotes osteoblastogenesis by uppregulation of BMP-2, runt-related transcription factor-2 (Runx2), MAPK (ERK, JNK, p38α), and Wnt/β-catenin signaling pathway[1]. L-Quebrachitol is a natural product isolated from many plants, promotes osteoblastogenesis by uppregulation of BMP-2, runt-related transcription factor-2 (Runx2), MAPK (ERK, JNK, p38α), and Wnt/β-catenin signaling pathway[1].
Methyl β-D-galactopyranoside
Methyl β-D-Galactopyranoside is an endogenous metabolite.
1D-1-O-Methyl-myo-inositol
A member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1R,2R,3S,4S,5R,6S-isomer).
1D-3-O-Methyl-myo-inositol
A member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1S,2R,3R,4S,5S,6R-isomer).
3-((2-mercapto-1-Methylpropyl)thio)-2-butanol
2-Amino-2-deoxy-D-gluconate
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 2-amino-2-deoxy-D-gluconic acid.
1D-5-O-Methyl-myo-inositol
A member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1R,2S,3r,4R,5S,6r-stereoisomer).
(1s,2r,3s,4r,5s,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol
(2s,3s,4s,5r)-2-(1-hydroxyethyl)-5-(hydroxymethyl)oxolane-2,3,4-triol
(2r,3s,4s,5r)-2,4,5,6-tetrahydroxy-3-methoxyhexanal
(1r,2s,3s,4s,5s,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol
(1r,2s,3r,4s,5r,6s)-6-methoxycyclohexane-1,2,3,4,5-pentol
(1r,2r,4r,5s)-6-methoxycyclohexane-1,2,3,4,5-pentol
3-hydroxy-2-[(1-hydroxyethylidene)amino]benzenecarboximidic acid
1,1-dichloro-2-hexyl-cyclopropane
{"Ingredient_id": "HBIN000396","Ingredient_name": "1,1-dichloro-2-hexyl-cyclopropane","Alias": "NA","Ingredient_formula": "C9H16Cl2","Ingredient_Smile": "CCCCCCC1CC1(Cl)Cl","Ingredient_weight": "195.13 g/mol","OB_score": "51.01877187","CAS_id": "NA","SymMap_id": "SMIT09652","TCMID_id": "NA","TCMSP_id": "MOL008345","TCM_ID_id": "NA","PubChem_id": "544574","DrugBank_id": "NA"}
1-O-methyl-α-D-cymadropyranoside
{"Ingredient_id": "HBIN002920","Ingredient_name": "1-O-methyl-\u03b1-D-cymadropyranoside","Alias": "NA","Ingredient_formula": "C7H14O6","Ingredient_Smile": "COC1C(C(C(C(O1)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39253","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-0-methyl-L-chiro-inositol
{"Ingredient_id": "HBIN003423","Ingredient_name": "2-0-methyl-L-chiro-inositol","Alias": "NA","Ingredient_formula": "C7H14O6","Ingredient_Smile": "COC1C(C(C(C(C1O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36378","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
