Exact Mass: 164.0745204

Exact Mass Matches: 164.0745204

Found 500 metabolites which its exact mass value is equals to given mass value 164.0745204, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

beta-Thujaplicin

2-Hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one

C10H12O2 (164.0837252)


Beta-thujaplicin is a monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. It has a role as an antifungal agent, an antibacterial agent, an antiplasmodial drug, an antineoplastic agent and a plant metabolite. It is an enol, a cyclic ketone and a monoterpenoid. It derives from a hydride of a cyclohepta-1,3,5-triene. Hinokitiol is a natural product found in Chamaecyparis obtusa, Thujopsis dolabrata, and other organisms with data available. A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents beta-Thujaplicin is found in fruits. beta-Thujaplicin occurs in Juniperus communis (juniper Occurs in Juniperus communis (juniper). beta-Thujaplicin is found in fruits. D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents Acquisition and generation of the data is financially supported in part by CREST/JST. Hinokitiol is a component of essential oils isolated from Chymacyparis obtusa, reduces Nrf2 expression, and decreases DNMT1 and UHRF1 mRNA and protein expression, with anti-infective, anti-oxidative, and anti-tumor activities. Hinokitiol is a component of essential oils isolated from Chymacyparis obtusa, reduces Nrf2 expression, and decreases DNMT1 and UHRF1 mRNA and protein expression, with anti-infective, anti-oxidative, and anti-tumor activities.

   

4-Isopropylbenzoic acid

InChI=1/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12

C10H12O2 (164.0837252)


P-cumic acid is a cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4. It has a role as a plant metabolite. It is a conjugate acid of a p-cumate. 4-Isopropylbenzoic acid is a natural product found in Libocedrus yateensis, Bridelia retusa, and other organisms with data available. Constituent of various plant subspecies including Cuminum cyminum (cumin), Ferula subspecies and Perilla frutescens (perilla). 4-Isopropylbenzoic acid is found in cumin, fats and oils, and herbs and spices. 4-Isopropylbenzoic acid is found in cumin. 4-Isopropylbenzoic acid is a constituent of various plant species including Cuminum cyminum (cumin), Ferula species and Perilla frutescens (perilla). A cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4. KEIO_ID C157 4-Isopropylbenzoic acid, an aromatic monoterpenoid, is isolated from the stem bark of Bridelia retusa. 4-Isopropylbenzoic acid exhibits antifungal activities. 4-Isopropylbenzoic acid is also a reversible and uncompetitive inhibitor of mushroom tyrosinase[1][2]. 4-Isopropylbenzoic acid, an aromatic monoterpenoid, is isolated from the stem bark of Bridelia retusa. 4-Isopropylbenzoic acid exhibits antifungal activities. 4-Isopropylbenzoic acid is also a reversible and uncompetitive inhibitor of mushroom tyrosinase[1][2].

   

1,5-anhydroglucitol (1,5-AG)

(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol

C6H12O5 (164.0684702)


1,5-Anhydrosorbitol or 1,5-anhydroglucitol (1,5-AG) is a validated marker of short-term glycemic control. This substance is derived mainly from food, is well absorbed in the intestine, and is distributed to all organs and tissues. It is metabolically stable, being excreted in the urine when its level exceeds the renal threshold. It is reabsorbed in the renal tubules, and is competitively inhibited by glucosuria, which leads to a reduction in its level in serum. The correlation between this reduction and the amount of glucose present in urine is so close that 1,5 AG can be used as a sensitive, day-to-day, real-time marker of glycemic control. It provides useful information on current glycemic control and is superior to both hemoglobin A1C and fructosamine in detecting near-normoglycemia. 1,5-AG in human plasma has been proposed for several years as a short-term, retrospective marker of glycaemic control and seems to be the most suitable parameter for monitoring glucose excursions. The decrease in serum 1,5-AG is very sensitive to urinary glucose excretion. It is a metabolically inert polyol that competes with glucose for reabsorption in the kidneys. Otherwise stable levels of 1,5-AG are rapidly depleted as blood glucose levels exceed the renal threshold for glucosuria. 1,5-AG is also more tightly associated with glucose fluctuations and postprandial glucose. (PMID: 18088226, 12166605, 7783360, 8940824) [HMDB] 1, 5-Anhydrosorbitol or 1,5-anhydroglucitol (1,5-AG) is a validated marker of short-term glycemic control. This substance is derived mainly from food, is well absorbed in the intestine, and is distributed to all organs and tissues. It is metabolically stable, being excreted in the urine when its level exceeds the renal threshold. It is reabsorbed in the renal tubules and is competitively inhibited by glucosuria, which leads to a reduction in its level in serum. The correlation between this reduction and the amount of glucose present in urine is so close that 1,5 AG can be used as a sensitive, day-to-day, real-time marker of glycemic control. It provides useful information on current glycemic control and is superior to both hemoglobin A1C and fructosamine in detecting near-normoglycemia. 1,5-AG in human plasma has been proposed for several years as a short-term, retrospective marker of glycemic control and seems to be the most suitable parameter for monitoring glucose excursions. The decrease in serum 1,5-AG is very sensitive to urinary glucose excretion. It is a metabolically inert polyol that competes with glucose for reabsorption in the kidneys. Otherwise stable levels of 1,5-AG are rapidly depleted as blood glucose levels exceed the renal threshold for glucosuria. 1,5-AG is also more tightly associated with glucose fluctuations and postprandial glucose (PMID:18088226, 12166605, 7783360, 8940824). 1,5-Anhydrosorbitol is a short-term marker for glycemic control. 1,5-Anhydrosorbitol is a short-term marker for glycemic control.

   

Eugenol

Eugenol, Pharmaceutical Secondary Standard; Certified Reference Material

C10H12O2 (164.0837252)


Eugenol appears as clear colorless pale yellow or amber-colored liquid. Odor of cloves. Spicy pungent taste. (NTP, 1992) Eugenol is a phenylpropanoid formally derived from guaiacol with an allyl chain substituted para to the hydroxy group. It is a major component of clove essential oil, and exhibits antibacterial, analgesic and antioxidant properties. It has been widely used in dentistry to treat toothache and pulpitis. It has a role as an allergen, a human blood serum metabolite, a sensitiser, a volatile oil component, a flavouring agent, an EC 1.4.3.4 (monoamine oxidase) inhibitor, a radical scavenger, an antibacterial agent, an antineoplastic agent, an apoptosis inducer, an anaesthetic, an analgesic, a voltage-gated sodium channel blocker, a NF-kappaB inhibitor and an anti-inflammatory agent. It is a phenylpropanoid, a monomethoxybenzene, a member of phenols and an alkenylbenzene. It is functionally related to a guaiacol. Eugenol is a naturally occurring phenolic molecule found in several plants such as cinnamon, clove, and bay leaves. It has been used as a topical antiseptic as a counter-irritant and in dental preparations with zinc oxide for root canal sealing and pain control. Although not currently available in any FDA-approved products (including OTC), eugenol has been found to have anti-inflammatory, neuroprotective, antipyretic, antioxidant, antifungal and analgesic properties. Its exact mechanism of action is unknown, however, it has been shown to interfere with action potential conduction. There are a number of unapproved OTC products available containing eugenol that advertise its use for the treatment of toothache. Eugenol is a Standardized Chemical Allergen. The physiologic effect of eugenol is by means of Increased Histamine Release, and Cell-mediated Immunity. Eugenol, also called clove oil, is an aromatic oil extracted from cloves that is used widely as a flavoring for foods and teas and as an herbal oil used topically to treat toothache and more rarely to be taken orally to treat gastrointestinal and respiratory complaints. Eugenol in therapeutic doses has not been implicated in causing serum enzyme elevations or clinically apparent liver injury, but ingestions of high doses, as with an overdose, can cause severe liver injury. Eugenol is a natural product found in Dahlia sherffii, Elettaria cardamomum, and other organisms with data available. Eugenol is an allyl chain-substituted guaiacol, i.e. 2-methoxy-4-(2-propenyl)phenol. Eugenol is a member of the allylbenzene class of chemical compounds. It is a clear to pale yellow oily liquid extracted from certain essential oils especially from clove oil, nutmeg, cinnamon, and bay leaf. It is slightly soluble in water and soluble in organic solvents. It has a pleasant, spicy, clove-like odor. Eugenol is used in perfumeries, flavorings, essential oils and in medicine as a local antiseptic and anaesthetic. It was used in the production of isoeugenol for the manufacture of vanillin, though most vanillin is now produced from petrochemicals or from by-products of paper manufacture (Wikipedia). 4-Allyl-2-methoxyphenol is a metabolite found in or produced by Saccharomyces cerevisiae. A cinnamate derivative of the shikimate pathway found in CLOVE OIL and other PLANTS. See also: Cinnamon (part of); Clove Oil (part of); Cinnamon Leaf Oil (part of) ... View More ... Eugenol is an allyl chain-substituted guaiacol. Eugenol is a member of the phenylpropanoids class of chemical compounds. It is a clear to pale yellow oily liquid extracted from certain essential oils especially from clove oil, nutmeg, cinnamon, and bay leaf. It is slightly soluble in water and soluble in organic solvents. It has a pleasant, spicy, clove-like aroma. Eugenol is an allyl chain-substituted guaiacol, i.e. 2-methoxy-4-(2-propenyl)phenol. It is a clear to pale yellow oily liquid extracted from certain essential oils especially from clove oil, nutmeg, cinnamon, and bay leaf. Eugenol is used in perfumeries, flavorings, essential oils and in medicine as a local antiseptic and anaesthetic. It was used in the production of isoeugenol for the manufacture of vanillin, though most vanillin is now produced from petrochemicals or from by-products of paper manufacture (Wikipedia). Eugenol is used in perfumeries, flavorings, essential oils and in medicine as a local antiseptic and anesthetic. It is a key ingredient in Indonesian kretek (clove) cigarettes. It was used in the production of isoeugenol for the manufacture of vanillin, though most vanillin is now produced from phenol or from lignin. It is one of many compounds that is attractive to males of various species of orchid bees, who apparently gather the chemical to synthesize pheromones; it is commonly used as bait to attract and collect these bees for study. Eugenol has a very widespread occurrence in essential oils. Major component of clove oil. Also found in citrus and thyme oils. It is found in foods such as apple, apricot, banana and cherry fruits. Eugenol or 4-allyl-2-methoxyphenol is classified as a phenylpropanoid, formally derived from guaiacol, with an allyl chain positioned para to the hydroxy group. It is soluble in water, alcohol, chloroform, ether and oils. Eugenol is a neutral compound. It is biosynthesized from tyrosine. Eugenol is widely distributed in plants. It is a clear to pale yellow oily liquid extracted from clove oil, nutmeg, cinnamon, basil and bay leaf. It has a pleasant, spicy, clove-like odor with a spicy pungent taste. Eugenol is found in highest concentrations in cloves, allspices, and carrots and in lower concentrations in walnuts, ceylon cinnamons, and wild carrots. Eugenol has also been detected in shea tree, passion fruits, winged beans, fireweeds, and gingers, making it a potential biomarker for the consumption of these foods. Eugenol is used in perfumeries, flavorings and essential oils. It was first used for the manufacture of vanillin (https://doi.org/10.1021/ed054p776), though most vanillin is now produced from petrochemicals or from by-products of paper manufacture. Eugenol is hepatotoxic, meaning it may cause damage to the liver, if consumed in high doses. Eugenol has local antiseptic and anaesthetic properties (PMID:15089054 ; PMID:935250 ) and acts as positive allosteric modulators of the GABA-A receptor. It has high antioxidant, anti-proliferative, and anti-inflammatory activities with potential roles in alleviating and preventing cancer and inflammatory reactions (PMID:27771920 ). A phenylpropanoid formally derived from guaiacol with an allyl chain substituted para to the hydroxy group. It is a major component of clove essential oil, and exhibits antibacterial, analgesic and antioxidant properties. It has been widely used in dentistry to treat toothache and pulpitis. C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent D000890 - Anti-Infective Agents D012997 - Solvents [Raw Data] CB226_Eugenol_pos_10eV_CB000079.txt [Raw Data] CB226_Eugenol_pos_20eV_CB000079.txt [Raw Data] CB226_Eugenol_pos_40eV_CB000079.txt [Raw Data] CB226_Eugenol_pos_50eV_CB000079.txt [Raw Data] CB226_Eugenol_pos_30eV_CB000079.txt Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation. Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation.

   

Benzenebutanoic acid

4-Phenylbutyric acid, calcium salt

C10H12O2 (164.0837252)


Benzenebutanoic acid (also known as 4-phenylbutyrate, or 4-PBA) is the oral form of butyrate, which is known to be a transcriptional regulator. Sodium-4-PBA has been shown to induce fetal hemoglobin, and it has been used in clinical trials for sickle cell anemia and β-thalassemia. Because gene expression profiles became more differentiated, it is in phase I trials in several different malignant disorders. The potential for therapeutic benefit in cystic fibrosis (CF) resides in an additional mechanism, involving protein folding and the ER (endoplasmic reticulum) environment (PMID 12458151). 4-PBA is a drug that was developed to treat elevated blood ammonia in urea cycle disorders, a histone deacetylase inhibitor that promotes mutation ΔF508 cystic fibrosis transmembrane conductance regulator (CFTR) trafficking (PMID 16798551). 4-phenylbutyrate (4-PBA) is known to be a transcriptional regulator, and sodium-4-PBA has been shown to induce fetal hemoglobin, and it has been used in clinical trials for sickle cell anemia and β-thalassemia Because gene expression profiles became more differentiated, it is in phase I trials in several different malignant disorders. The potential for therapeutic benefit in cystic fibrosis (CF) resides in an additional mechanism, involving protein folding and the ER environment. 4-PBA is a drug that was developed to treat elevated blood ammonia in urea cycle disorders, a histone deacetylase inhibitor that promotes mutation ΔF508 cystic fibrosis transmembrane conductance regulator (CFTR) trafficking. (PMID 12458151) [HMDB] C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents

   

2-Phenylethyl acetate

Acetic acid beta -phenylethyl ester

C10H12O2 (164.0837252)


2-Phenylethyl acetate, also known as 2-phenethyl acetic acid or benzylcarbinyl acetate, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 2-Phenylethyl acetate is a sweet, floral, and fruity tasting compound. 2-Phenylethyl acetate is found, on average, in the highest concentration within ceylon cinnamons and cloves. 2-Phenylethyl acetate has also been detected, but not quantified, in several different foods, such as butternuts, eggplants, turmerics, radish (var.), and pili nuts. This could make 2-phenylethyl acetate a potential biomarker for the consumption of these foods. The acetate ester of 2-phenylethanol. Flavouring ingredient. 2-Phenylethyl acetate is found in many foods, some of which are acerola, prickly pear, summer grape, and sweet orange.

   

Rhamnose

L-(+)-Rhamnose hydrate = 6-deoxy-L-mannose monohydrate

C6H12O5 (164.06847019999998)


Rhamnose (Rham) is a naturally occurring deoxy sugar. It can be classified as either a methyl-pentose or a 6-deoxy-hexose. Rhamnose occurs in nature in its L-form as L-rhamnose (6-deoxy-L-mannose). This is unusual, since most of the naturally occurring sugars are in D-form. Rhamnose is commonly bound to other sugars in nature. It is a common glycone component of glycosides from many plants. Rhamnose is also a component of the outer cell membrane of certain bacteria. L-rhamnose is metabolized to L-Lactaldehyde, which is a branching point in the metabolic pathway of L-fucose and L-rhamnose utilization. It exists in two anomeric forms, alpha-L-rhamnose and beta-L-rhamnose. Rhamnose has been found in Klebsiella, Pseudomonas (https://link.springer.com/article/10.1007/BF00369505) (https://onlinelibrary.wiley.com/doi/abs/10.1002/ejlt.200300816). Acquisition and generation of the data is financially supported in part by CREST/JST. Rhamnose (L-Rhamnose) is a monosaccharide found in plants and bacteria. Rhamnose-conjugated immunogens is used in immunotherapies[1]. Rhamnose crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2]. Rhamnose (L-Rhamnose) is a monosaccharide found in plants and bacteria. Rhamnose-conjugated immunogens is used in immunotherapies[1]. Rhamnose crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2].

   

2-Deoxy-D-glucose

6-(hydroxymethyl)oxane-2,4,5-triol

C6H12O5 (164.06847019999998)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites

   

L-Rhamnulose

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol

C6H12O5 (164.06847019999998)


L-Rhamnulose (CAS: 14807-05-7), also known as 6-deoxy-L-fructose, is a breakdown product of L-rhamnose, which is ubiquitous and particularly abundant in some plants, such as buckthorn. Rhamnose is also one of the sugars regularly used to conduct the dual sugar permeability test. Rhamnose is fermented by some colonic bacteria into L-rhamnulose. Three bacterial (gut microflora) enzymes are involved in rhamnose degradation including rhaB (rhamnulose kinase), rhaA (rhamnose isomerase), and rhaD (rhamnulose-1-phosphate aldolase). L-Rhamnulose kinase catalyzes the transfer of the gamma-phosphate group from ATP to the 1-hydroxyl group of L-rhamnulose. L-Rhamnulose has been found in Escherichia (PMID: 4975916). L-Rhamnulose is a breakdown product of L-rhamnose, which is ubiquitous and particularly abundant in some plants, such as buckthorn. Rhamnose is also one of the sugars regularly used to conduct the dual sugar permeability test. Rhamnose is fermented by some colonic bacteria into L-rhamnulose. Three bacterial (gut micrflora) enzymes are involved in Rhamnose degradation including rhaB (rhamulose kinase), rhaA (rhamnose isomerase), and rhaD (rhamnulose-1-phosphate aldolase). L-rhamnulose kinase catalyzes the transfer of the gamma-phosphate group from ATP to the 1-hydroxyl group of L-rhamnulose. [HMDB]

   

L-rhamnofuranose

(3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol

C6H12O5 (164.06847019999998)


L-rhamnofuranose is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. L-rhamnofuranose is soluble (in water) and a very weakly acidic compound (based on its pKa). L-rhamnofuranose can be found in a number of food items such as guava, babassu palm, wild celery, and red beetroot, which makes L-rhamnofuranose a potential biomarker for the consumption of these food products.

   

S-Methyl-L-methionine

S-Methyl-L-methionine

C6H14NO2S+ (164.0745204)


A sulfonium compound that is the conjugate acid of S-methyl-L-methioninate.

   
   

Evodone

3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one

C10H12O2 (164.0837252)


   

gamma-Thujaplicin

2-Hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one

C10H12O2 (164.0837252)


   

Isoeugenol

Isoeugenol, predominantly trans, analytical standard

C10H12O2 (164.0837252)


Isoeugenol is a pale yellow oily liquid with a spice-clove odor. Freezes at 14 °F. Density 1.08 g / cm3. Occurs in ylang-ylang oil and other essential oils. Isoeugenol is a phenylpropanoid that is an isomer of eugenol in which the allyl substituent is replaced by a prop-1-enyl group. It has a role as an allergen and a sensitiser. It is a phenylpropanoid and an alkenylbenzene. It is functionally related to a guaiacol. Isoeugenol is a commonly used fragrance added to many commercially available products, and occurs naturally in the essential oils of plants such as ylang-ylang. It is also a significant dermatologic sensitizer and allergen, and as a result has been restricted to 200 p.p.m. since 1998 according to guidelines issued by the fragrance industry. Allergic reactivity to Isoeugenol may be identified with a patch test. Isoeugenol is a natural product found in Chaerophyllum macrospermum, Origanum sipyleum, and other organisms with data available. Isoeugenol is is a clear to pale yellow oily liquid extracted from certain essential oils especially from clove oil and cinnamon. It is very slightly soluble in water and soluble in organic solvents. It has a spicy odor and taste of clove. Isoeugenol is prepared from eugenol by heating. Eugenol is used in perfumeries, flavorings, essential oils and in medicine (local antiseptic and analgesic). It is used in the production of isoeugenol for the manufacture of vanillin. Eugenol derivatives or methoxyphenol derivatives in wider classification are used in perfumery and flavoring. They are used in formulating insect attractants and UV absorbers, analgesics, biocides and antiseptics. They are also used in manufacturing stabilizers and antioxidants for plastics and rubbers. Isoeugenol is used in manufacturing perfumeries, flavorings, essential oils (odor description: Clove, spicy, sweet, woody) and in medicine (local antiseptic and analgesic) as well as vanillin. (A7915). E-4-Propenyl-2-methoxyphenol is a metabolite found in or produced by Saccharomyces cerevisiae. Isoeugenol is an isomer of eugenol, wherein the double bond on the alkyl chain is shifted by one carbon. It also known as propenylgualacol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Isoeugenol is also classified as a phenylpropene, a propenyl-substituted guaiacol. Isoeugenol may occur as either the cis (Z) or trans (E) isomer. Trans (E) isoeugenol is crystalline while cis (Z) isoeugenol is a pale, yellow liquid. Isoeugenol is very slightly soluble in water and soluble in organic solvents. It has a spicy, sweet, carnation-like odour and tastes of sweet spice and clove. Isoeugenol is a widely used food flavoring agent and a perfuming agent. As a food flavoring agent, it is responsible for the flavor of nutmeg (in pumpkin pies), As a fragrance, it is extensively used as a scent agent in consumer products such as soaps, shampoos, perfumes, detergents and bath tissues (often labeled as ‚ÄúFragrance‚Äù rather than isoeugenol). However, some individuals can develop allergies to isoeugenol as it appears to be a strong contact allergen (PMID:10554062 ). Isoeugenol can be prepared from eugenol by heating. In addition to its industrial production via eugenol, isoeugenol can also be extracted from certain essential oils especially from clove oil and cinnamon. It is found naturally in a wide number of foods, spices and plants including allspice, basil, blueberries, cinnamon, cloves, coffee, dill, ginber, nutmeg, thyme and turmeric. Isoeugenol is also a component of wood smoke and liquid smoke. It is one of several phenolic compounds responsible for the mold-inhibiting effect of smoke on meats and cheeses. Isoeugenol (specifically the acetate ester) has also been used in the production of vanillin. Isoeugenol is one of several non-cannabinoid phenols found in cannabis plants (PMID:6991645 ). (e)-isoeugenol, also known as 2-methoxy-4-propenylphenol or propenylgualacol, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety (e)-isoeugenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (e)-isoeugenol is a sweet, carnation, and clove tasting compound and can be found in a number of food items such as corn salad, coconut, flaxseed, and winter squash, which makes (e)-isoeugenol a potential biomarker for the consumption of these food products (e)-isoeugenol can be found primarily in saliva (e)-isoeugenol exists in all eukaryotes, ranging from yeast to humans (e)-isoeugenol is a non-carcinogenic (not listed by IARC) potentially toxic compound. Isoeugenol is an essential oil constituent of nutmeg, clove, and cinnamon. Isoeugenol inhibits growth of Escherichia coli and Listeria innocua with MICs of 0.6 mg/mL and 1 mg/mL, respectively[1]. Isoeugenol is an essential oil constituent of nutmeg, clove, and cinnamon. Isoeugenol inhibits growth of Escherichia coli and Listeria innocua with MICs of 0.6 mg/mL and 1 mg/mL, respectively[1].

   

Dihydrosafrole

1,2-(Methylenedioxy)-4-propylbenzene

C10H12O2 (164.0837252)


   

2,6-Dimethylocta-2,4,6-trienedial

(2E,4E,6E)-2,6-Dimethylocta-2,4,6-trienedial

C10H12O2 (164.0837252)


   

L-Fucose

(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol

C6H12O5 (164.0684702)


Fucose (CAS: 2438-80-4) is a hexose deoxy sugar with the chemical formula C6H12O5. L-Fucose (6-deoxy-L-galactose) is a monosaccharide that is a common component of many N- and O-linked glycans and glycolipids produced by mammalian cells. It is the fundamental subunit of the fucoidan polysaccharide. As a free sugar, L-fucose is normally found at very low levels in mammals. It is unique in that it is the only levorotatory sugar synthesized and utilized by mammals. Fucose polymers are synthesized by fucosyltransferases. All fucosyltransferases utilize a nucleotide-activated form of fucose, GDP-fucose, as a fucose donor in the construction of fucosylated oligosaccharides. The ABO blood group antigens are among the most well known fucosylated glycans. The alpha-1->3 linked core fucose is a suspected carbohydrate antigen for IgE-mediated allergy. Two structural features distinguish fucose from other six-carbon sugars present in mammals: the lack of a hydroxyl group on the carbon at the 6-position (C-6) and the L-configuration. In fucose-containing glycan structures, fucosylated glycans, fucose can exist as a terminal modification or serve as an attachment point for adding other sugars. Fucose is metabolized by an enzyme called alpha-fucosidase. Fucose is secreted in urine when the liver is damaged. Free L-fucose in serum and urine can be used as a marker for cancer, cirrhosis, alcoholic liver disease and gastric ulcers (PMID: 2311216, 8488966). Elevated levels of serum fucose have been reported in breast cancer, ovarian cancer, lung cancer, liver cancer, diabetes, and cardiovascular disease. It has been shown that feeding rats a diet high in L-fucose induces neuropathy similar to that seen in diabetics. A constituent of the polysaccharides obtained from gum tragacanthand is) also found in glycoproteins obtained from milk (-)-Fucose is classified as a member of the hexoses, plays a role in A and B blood group antigen substructure determination, selectin-mediated leukocyte-endothelial adhesion, and host-microbe interactions. (-)-Fucose is classified as a member of the hexoses, plays a role in A and B blood group antigen substructure determination, selectin-mediated leukocyte-endothelial adhesion, and host-microbe interactions. (-)-Fucose is classified as a member of the hexoses, plays a role in A and B blood group antigen substructure determination, selectin-mediated leukocyte-endothelial adhesion, and host-microbe interactions. (-)-Fucose is classified as a member of the hexoses, plays a role in A and B blood group antigen substructure determination, selectin-mediated leukocyte-endothelial adhesion, and host-microbe interactions.

   

beta-D-Fucose

(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol

C6H12O5 (164.06847019999998)


beta-D-Fucose, also known as 6-deoxy-beta-D-galactose, is a hexose deoxy sugar. beta-D-Fucose is hydrolyzed by Triton X beta-glucosidase. It is Hexose sugar. Beta-D-fucose is hydrolyzed by Triton X beta- glucosidase. [HMDB]

   

2-Deoxygalactopyranose

(4R,5R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol

C6H12O5 (164.06847019999998)


2-Deoxygalactopyranose is an optical isomer of 2-deoxyglucose, which has the 2-hydroxyl group replaced by hydrogen. 2-deoxygalactose inhibits galactose uptake and oxidation in galactose-grown cells. Similar to galactose,. 2-deoxyglucose, and D-fucose, 2-deoxygalactose induces uptake of H+ when the sugar is added to anaerobic wild-type cells that contain the galactose transport system, whereas the maximal rate of uptake is one-half to one-third of that of galactose. 2-Deoxygalactose is a specific substrate of the galactose permease. None of the other galactose transport systems, including methyl beta-D-thiogalactosides I and II, the beta-methyl-galactoside permease, and both arabinose systems, is able to catalyze transport of 2-deoxygalactose to a significant extent. 2-Deoxygalactose can also be used to isolate mutants defective in galactose permease, since it is bacteriostatic. 2-Deoxygalactopyranose is an optical isomer of 2-deoxyglucose, which has the 2-hydroxyl group replaced by hydrogen. 2-deoxygalactose inhibits galactose uptake and oxidation in galactose-grown cells. Similar to galactose,

   

D-Fucose

(2S,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol

C6H12O5 (164.06847019999998)


D-Fucose (CAS: 4164-09-4) is a hexose deoxy sugar. Hexoses are monosaccharides in which the sugar unit is a six-carbon containing moiety. D-Fucose is considered to be soluble (in water) and a very weak acidic compound. Acquisition and generation of the data is financially supported in part by CREST/JST. D-(+)-Fucose is a nonmetabolizable analogue of l-arabinose. D-(+)-Fucose prevents growth of Escherichia coli B/r on a mineral salts medium plus l-arabinose by inhibiting induction of the l-arabinose operon[1]. D-fucose is a potent inducer of beta-methylgalactoside permease (MGP)[2].

   

L-Fuculose

(3R,4R,5S)-1,3,4,5-tetrahydroxyhexan-2-one

C6H12O5 (164.06847019999998)


This compound belongs to the family of Hexoses. These are monosaccharides in which the sugar unit is a hexose.

   

alpha-L-Fucopyranose

(3S,4R,5S,6S)-6-METHYLTETRAHYDRO-2H-PYRAN-2,3,4,5-TETRAOL

C6H12O5 (164.06847019999998)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   

beta-L-Fucose

(2S,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol

C6H12O5 (164.06847019999998)


A L-fucopyranose with a beta-configuration at the anomeric position.

   
   

L-Rhamnose

(2R,3R,4S,5S)-2,3,4,5-Tetrahydroxyhexanal

C6H12O5 (164.06847019999998)


Any rhamnose having L-configuration. L-rhamnose occurs naturally in many plant glycosides and some gram-negative bacterial lipopolysaccharides. Acquisition and generation of the data is financially supported by the Max-Planck-Society CONFIDENCE standard compound; INTERNAL_ID 234 Rhamnose (L-Rhamnose) is a monosaccharide found in plants and bacteria. Rhamnose-conjugated immunogens is used in immunotherapies[1]. Rhamnose crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2]. Rhamnose (L-Rhamnose) is a monosaccharide found in plants and bacteria. Rhamnose-conjugated immunogens is used in immunotherapies[1]. Rhamnose crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2].

   

alpha-D-Quinovopyranose

alpha-D-Quinovopyranose

C6H12O5 (164.06847019999998)


The pyranose form of D-quinovose with an alpha-configuration at the anomeric position .

   

(-)-Viburnitol

(1R,2R,3R,4S,5R)-1,2,3,4,5-Cyclohexanepentol

C6H12O5 (164.06847019999998)


   

Quinovose

(3R,4S,5S,6R)-6-methyloxane-2,3,4,5-tetrol

C6H12O5 (164.06847019999998)


   
   
   
   

1,5-Anhydrosorbitol

1,5-anhydro-D-Glucitol

C6H12O5 (164.06847019999998)


An anhydro sugar of D-glucitol. 1,5-Anhydrosorbitol is a short-term marker for glycemic control. 1,5-Anhydrosorbitol is a short-term marker for glycemic control.

   

Methyl beta-D-xylopyranoside

beta-D-Xylopyranoside, methyl

C6H12O5 (164.06847019999998)


   

4-(4-Hydroxyphenyl)-2-butanone

Dobutamine Hydrochloride Imp. B (EP); Dobutamine Imp. B (EP); 4-(4-Hydroxyphenyl)butan-2-one; Dobutamine Hydrochloride Impurity B; Dobutamine Impurity B

C10H12O2 (164.0837252)


Raspberry ketone is a ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics. It has a role as a flavouring agent, a fragrance, a metabolite, a hepatoprotective agent, a cosmetic and an androgen antagonist. It is a member of phenols and a methyl ketone. 4-(4-Hydroxyphenyl)-2-butanone is a natural product found in Rheum officinale, Rheum palmatum, and other organisms with data available. 4-(4-Hydroxyphenyl)-2-butanone is found in fruits. 4-(4-Hydroxyphenyl)-2-butanone is isolated from raspberries (Rubus idaeus), rhubarb (Rheum species), European cranberry (Vaccinium oxycoccus), blackberry, loganberry and redcurrants. 4-(4-Hydroxyphenyl)-2-butanone is an important flavour ingredient. Isolated from raspberries (Rubus idaeus), rhubarb (Rheum subspecies), European cranberry (Vaccinium oxycoccus), blackberry, loganberry and redcurrants. Important flavour ingredient. 4-(4-Hydroxyphenyl)-2-butanone is found in fruits and red raspberry. A ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics. Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity. Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity. Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity.

   

Thymoquinone

ethyl 2-hydroxy-5-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate;Thymoquinon

C10H12O2 (164.0837252)


Thymoquinone is a member of the class of 1,4-benzoquinones that is 1,4-bezoquinone in which the hydrogens at positions 2 and 5 are replaced by methyl and isopropyl groups, respectively. It is a natural compound isolated from Nigella sativa which has demonstrated promising chemotherapeutic activity. It has a role as an anti-inflammatory agent, an antioxidant, an adjuvant, an antineoplastic agent, a cardioprotective agent, an antidepressant and a plant metabolite. Thymoquinone is a natural compound with widespread protective effects, including anti-oxidative, anti-inflammatory, immunomodulatory, anti-cancer, and anti-microbial. Thymoquinone is a natural product found in Ayapana triplinervis, Tetraclinis articulata, and other organisms with data available. A member of the class of 1,4-benzoquinones that is 1,4-bezoquinone in which the hydrogens at positions 2 and 5 are replaced by methyl and isopropyl groups, respectively. It is a natural compound isolated from Nigella sativa which has demonstrated promising chemotherapeutic activity. Major constituent of seed oil of black cumin, Nigella sativa (24\\\%). Thymoquinone is found in herbs and spices and winter savory. Thymoquinone is found in herbs and spices. Thymoquinone is a major constituent of seed oil of black cumin, Nigella sativa (24\\\% COVID info from DrugBank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Thymoquinone is an orally active natural product isolated from N. sativa Thymoquinone down-regulates the VEGFR2-PI3K-Akt pathway. Thymoquinone has antioxidant, anti-inflammatory, anticancer, antiviral, anticonvulsant, antifungal, antiviral, antiangiogenic activity and hepatoprotective effects. Thymoquinone can be used to study Alzheimer's disease, cancer, cardiovascular disease, infectious disease and inflammation [1][2][3][4][5].

   
   

S-Methylmethionine

Sulfonium, ((3S)-3-Amino-3-Carboxypropyl)Dimethyl-, Inner Salt

C6H14NO2S+ (164.0745204)


Isolated from cabbage leaves and other fruits and vegetables [DFC]. S-Methyl-L-methionine is found in many foods, some of which are evergreen huckleberry, rose hip, potato, and black crowberry. (S)-S-Methylmethionine is found in brassicas. (S)-S-Methylmethionine is isolated from cabbage leaves and other fruits and vegetables. D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D018977 - Micronutrients > D014815 - Vitamins

   

1-(4-Methoxyphenyl)-2-propanone

1-(4-Methoxyphenyl)-2-propanone

C10H12O2 (164.0837252)


1-(4-Methoxyphenyl)-2-propanone is found in anise. 1-(4-Methoxyphenyl)-2-propanone is isolated from anise oil, fennel oil and oil of star anise fruit (Illicium verum). Isolated from anise oil, fennel oil and oil of star anise fruit (Illicium verum). 1-(4-Methoxyphenyl)-2-propanone is found in fennel, herbs and spices, and anise.

   

3-Hydroxy-4-phenylbutan-2-one

2-Butanone, 3-hydroxy-4-phenyl

C10H12O2 (164.0837252)


3-Hydroxy-4-phenylbutan-2-one is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

Benzyl propionate

Propionic acid, benzyl ester (6ci,7ci,8ci)

C10H12O2 (164.0837252)


Benzyl propionate is found in muskmelon. Benzyl propionate is used in fruit flavouring It is used in fruit flavourings. Benzyl propionate is found in muskmelon.

   

Methyl 3-phenylpropanoate

Methyl esterof beta -phenylpropionic acid

C10H12O2 (164.0837252)


Methyl 3-phenylpropanoate is a flavouring ingredien Flavouring ingredient Methyl 3-phenylpropanoate is an endogenous metabolite. Methyl 3-phenylpropanoate is an endogenous metabolite.

   

2-O-Methyl-D-xylose

5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol

C6H12O5 (164.06847019999998)


2-O-Methyl-D-xylose is found in fruits. 2-O-Methyl-D-xylose is isolated from hydrolysis of Prunus domestica (plum) polysaccharides. Isolated from hydrolysis of Prunus domestica (plum) polysaccharides. 2-O-Methyl-D-xylose is found in fruits.

   

Lepalone

5-(furan-3-yl)-2-methylpent-1-en-3-one

C10H12O2 (164.0837252)


Constituent of Roman camomile oil (Anthemis nobilis). Lepalone is found in roman camomile and herbs and spices. Lepalone is found in herbs and spices. Lepalone is a constituent of Roman camomile oil (Anthemis nobilis)

   

Propyl benzoate

N-Propyl benzenecarboxylic acid

C10H12O2 (164.0837252)


Propyl benzoate is found in cloves. Propyl benzoate is present in cherry and clove stem, also in butter. Propyl benzoate is a flavouring ingredient Propyl benzoate is an organic chemical compound used as a food additive Present in cherry and clove stem, also in butter. Flavouring ingredient

   

3-(4-Methoxyphenyl)-2-propen-1-ol

2-Propen-1-ol, 3-(4-methoxyphenyl)- (9ci)

C10H12O2 (164.0837252)


3-(4-Methoxyphenyl)-2-propen-1-ol is found in herbs and spices. 3-(4-Methoxyphenyl)-2-propen-1-ol is a constituent of Alpinia galanga (greater galangal)

   

Isoegomaketone

(2E)-1-(furan-3-yl)-4-methylpent-2-en-1-one

C10H12O2 (164.0837252)


Constituent of the seeds of Perilla frutescens (perilla). Isoegomaketone is found in fats and oils and herbs and spices. Isoegomaketone is found in fats and oils. Isoegomaketone is a constituent of the seeds of Perilla frutescens (perilla)

   

1,2-Dimethoxy-4-vinylbenzene

4-Ethenyl-1,2-dimethoxy-benzene

C10H12O2 (164.0837252)


1,2-Dimethoxy-4-vinylbenzene is found in cereals and cereal products. 1,2-Dimethoxy-4-vinylbenzene is a flavouring ingredient. 1,2-Dimethoxy-4-vinylbenzene is a constituent of roasted coffee aroma and boiled buckwheat flour flavour. Flavouring ingredient. Constituent of roasted coffee aroma and boiled buckwheat flour flavour. 1,2-Dimethoxy-4-vinylbenzene is found in cereals and cereal products and coffee and coffee products.

   

Egomaketone

1-(3-Furanyl)-4-methyl-3-penten-1-one, 9ci

C10H12O2 (164.0837252)


Constituent of Perilla frutescens (perilla). Egomaketone is found in fats and oils and herbs and spices. Egomaketone is found in fats and oils. Egomaketone is a constituent of Perilla frutescens (perilla).

   

Ethyl phenylacetate

Acetic acid, phenyl-, ethyl ester

C10H12O2 (164.0837252)


Ethyl phenylacetate, also known as ethyl alpha -toluate or ethyl benzeneacetate, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Ethyl phenylacetate is a sweet, anise, and balsam tasting compound. Ethyl phenylacetate is found, on average, in the highest concentration within corns. Ethyl phenylacetate has also been detected, but not quantified, in several different foods, such as citrus, pulses, german camomiles, alcoholic beverages, and cereals and cereal products. Ethyl phenylacetate is an odoriferous constituent of many plants. It is found in many foods, some of which are apple, grapefruit, guava fruit, papaya, melon, pineapple, wheat bread, crispbread, wines, fruit brandies, shoyu, bael (Aegle marmelos), sake, and ceriman (Monstera deliciosa). It can be used as a flavouring ingredient.

   

Epoxyanethole

2-(4-Methoxyphenyl)-3-methyl-oxirane

C10H12O2 (164.0837252)


Epoxyanethole is found in herbs and spices. Epoxyanethole is a constituent of fennel Foeniculum vulgare Constituent of fennel Foeniculum vulgare. Epoxyanethole is found in herbs and spices.

   

1-Phenylethyl acetate

Benzenemethanol, alpha-methyl-, 1-acetate

C10H12O2 (164.0837252)


1-Phenylethyl acetate is found in cloves. 1-Phenylethyl acetate is a flavouring ingredient. 1-Phenylethyl acetate is present in gardenia flower oi 1-Phenylethyl acetate is a flavouring ingredient. It is found in gardenia flower oil and cloves.

   

3-Phenylbutyric acid

beta-Methylbenzenepropanoic acid

C10H12O2 (164.0837252)


3-Phenylbutyric acid, also known as 3-phenylbutyrate or (RS)-3-phenylbutanoate, belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. Adverse effects Nearly 1/4 women may experience an adverse effect of amenorrhea or menstrual dysfunction. Sodium phenylbutyrate can act as a chemical chaperone, stabilising the mutant CFTR in the endoplasmic reticulum and allowing it to reach the cell surface. A 5g tablet or powder of sodium phenylbutyrate taken by mouth can be detected in the blood within 15 minutes, and reaches peak concentration in the bloodstream within an hour. Phenylbutyric acid is a metabolite occasionally isolated from biological samples (PMID 11043786; 6511847), and it is speculated that this is due to a pitfall in quantitative urinary organic acid analysis originated in the irreproducible adsorption to glass as a major cause of errors. (PMID 10384390) [HMDB] 3-Phenylbutyric acid is metabolized by initial oxidation of the benzene ring and by initial oxidation of the side chain. 3-Phenylbutyric acid can be used to isolate Rhodococcus rhodochrous PB1 from compost soil[1][2].

   

2-Phenylbutyric acid

alpha-Ethylbenzeneacetic acid

C10H12O2 (164.0837252)


2-Phenylbutyric acid, also known as alpha-phenylbutyrate or alpha-ethyl-alpha-toluate, belongs to the class of organic compounds known as phenylpropanes. Phenylpropanes are organic compounds containing a phenylpropane moiety. 2-Phenylbutyric acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-Phenylbutyric acid can be biosynthesized from butyric acid. 2-Phenylbutyric acid is used as an anticholesteremic. C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent 2-Phenylbutyric acid is used as an anticholesteremic. [HMDB] 2-Phenylbutanoic acid is an endogenous metabolite.

   

3-Deoxyfructose

(4S,5R)-1,4,5,6-Tetrahydroxyhexan-2-one

C6H12O5 (164.06847019999998)


3-Deoxyglucosone (3DG) is a dicarbonyl sugar used as a marker of hyperglycemia in diabetic patients (PMID: 10491986). 3DG is naturally synthesized from the Maillard reaction. It forms after glucose reacts with primary amino groups of lysine and arginine, found in proteins. 3DG also arises via the degradation of fructose 3-phsophate (PMID: 2300805). 3DG is highly reactive toward amine groups. It reacts with amino groups of proteins and forms advanced glycation end-products (AGEs). 3DG as well as AGEs play a role in the modification and cross-linking of long-lived proteins such as crystallin and collagen, contributing to diseases such as the vascular complications of diabetes, atherosclerosis, hypertension, Alzheimers disease, inflammation, and aging (PMID: 27164965, 10491986, 9836531, 9430981). 3DG inactivates aldehyde reductase (PMID: 7827091). Aldehyde reductase is the cellular enzyme that protects the body from 3DG. Detoxification of 3DG to 3-deoxyfructose (3DF) is impaired in diabetics. Aminoguanidine (AG) is an investigational drug used to deactivate 3-DG (PMID: 8194672).

   

Isopropyl benzoate

Benzoic acid, 1-methylethyl ester

C10H12O2 (164.0837252)


Isopropyl benzoate is found in cocoa and cocoa products. Isopropyl benzoate is present in feijoa fruit (Feijoa sellowiana), apple, pear, cocoa and honey. Isopropyl benzoate is a flavouring ingredien Present in feijoa fruit (Feijoa sellowiana), apple, pear, cocoa and honey. Flavouring ingredient. Isopropyl benzoate is found in pomes, cocoa and cocoa products, and fruits.

   

Butyl isopropyl disulfide

Butyl 1-methylethyl disulfide, 9ci

C7H16S2 (164.0693376)


Butyl isopropyl disulfide is found in onion-family vegetables. Butyl isopropyl disulfide is a constituent of Allium cepa (onion). Constituent of Allium cepa (onion). Butyl isopropyl disulfide is found in garden onion and onion-family vegetables.

   

Butyl propyl disulfide

N-Propyl N-butyl disulphide

C7H16S2 (164.0693376)


Constituent of Allium cepa (onion) flavour and Nigella sativa (black cumin). Butyl propyl disulfide is found in garden onion, onion-family vegetables, and herbs and spices. Butyl propyl disulfide is found in herbs and spices. Butyl propyl disulfide is a constituent of Allium cepa (onion) flavour and Nigella sativa (black cumin).

   

3-Phenylpropyl formate

1-Propanol, 3-phenyl-, formate

C10H12O2 (164.0837252)


3-Phenylpropyl formate is used in food flavourin It is used in food flavouring.

   

4-Methyl-2-phenyl-1,3-dioxolane

Benzaldehyde propylene glycol acetal

C10H12O2 (164.0837252)


4-Methyl-2-phenyl-1,3-dioxolane is found in alcoholic beverages. 4-Methyl-2-phenyl-1,3-dioxolane is reported in port wine. 4-Methyl-2-phenyl-1,3-dioxolane is a flavouring ingredient for beverages and candies. Artifact in benzaldehyde-based artificial flavours. 4-Methyl-2-phenyl-1,3-dioxolane is a stabiliser for aspartame in chewing-gum formulations. Reported in port wine. Flavouring ingredient for beverages and candies. Artifact in benzaldehyde-based artificial flavours. Stabiliser for aspartame in chewing-gum formulations. 4-Methyl-2-phenyl-1,3-dioxolane is found in alcoholic beverages.

   

p-Mentha-2,4(8)-dien-9,3-olide

3,6-dimethyl-2,4,5,6-tetrahydro-1-benzofuran-2-one

C10H12O2 (164.0837252)


xi-p-Mentha-2,4(8)-dien-9,3-olide is found in garden tomato. xi-p-Mentha-2,4(8)-dien-9,3-olide is a flavouring ingredient. It is used as a food additive

   

1-(Methylthio)-1-hexanethiol

1-(Methylsulphanyl)hexane-1-thiol

C7H16S2 (164.0693376)


1-(Methylthio)-1-hexanethiol is a component of an allium-like organoleptic mixture produced from hexanal, H2S and MeSH. Component of an allium-like organoleptic mixture production from hexanal, H2S and MeSH

   

4-Methylbenzyl alcohol acetate

4-Methylbenzyl alcohol acetic acid

C10H12O2 (164.0837252)


4-Methylbenzyl alcohol acetate is a component of FEMA 2684. 4-Methylbenzyl alcohol acetate is a flavouring ingredient. Component of FEMA 2684. Flavouring ingredient

   

2-Methylbenzyl alcohol acetate

Benzenemethanol, 2-methyl-, acetate

C10H12O2 (164.0837252)


2-Methylbenzyl alcohol acetate is found in parsley. 2-Methylbenzyl alcohol acetate is a flavouring ingredient. 2-Methylbenzyl alcohol acetate is a component of FEMA 2684. Flavouring ingredient. Component of FEMA 2684. 2-Methylbenzyl alcohol acetate is found in parsley.

   

(3-Methylphenyl)methyl acetate

Benzenemethanol, 3-methyl-, acetate

C10H12O2 (164.0837252)


(3-methylphenyl)methyl acetate is a component of FEMA 2684. (3-methylphenyl)methyl acetate is a flavouring ingredient. Component of FEMA 2684. Flavouring ingredient

   

Phenyl butyrate

α-ethylphenylacetate

C10H12O2 (164.0837252)


Phenyl butyrate is a flavouring ingredient [CCD]. Flavouring ingredient [CCD]

   

beta-L-Fucose

(2S,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol

C6H12O5 (164.06847019999998)


beta-L-Fucose, also known as 6-deoxy-beta-L-galactose, is a hexose deoxy sugar. beta-L-Fucose is a substrate for fucose mutarotase.

   

2-Deoxyglucose

(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal

C6H12O5 (164.06847019999998)


2-Deoxyglucose is classified as a member of the fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. 2-Deoxyglucose is considered to be soluble (in water) and acidic. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites

   

(2R,3R,4S,5S)-2,3,4,5-Tetrahydroxyhexanal

(2R,3R,4S,5S)-2,3,4,5-Tetrahydroxyhexanal

C6H12O5 (164.06847019999998)


   

(2R,4S,5R)-2,4,5,6-Tetrahydroxyhexanal

(2R,4S,5R)-2,4,5,6-Tetrahydroxyhexanal

C6H12O5 (164.06847019999998)


   

(2R,4R,5R)-1,2,4,5-Tetrahydroxyhexan-3-one

(2R,4R,5R)-1,2,4,5-Tetrahydroxyhexan-3-one

C6H12O5 (164.06847019999998)


   

(14C)-Deoxyglucose

hex-5-ene-1,2,3,4,6-pentol

C6H12O5 (164.06847019999998)


   

1,5-Anhydro-d-mannitol

2-(hydroxymethyl)oxane-3,4,5-triol

C6H12O5 (164.06847019999998)


1,5-anhydro-d-mannitol, also known as 1,5-sorbitan or 1-deoxy-D-glucopyranose, is a member of the class of compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. 1,5-anhydro-d-mannitol is very soluble (in water) and a very weakly acidic compound (based on its pKa). 1,5-anhydro-d-mannitol can be found in a number of food items such as half-highbush blueberry, deerberry, vaccinium (blueberry, cranberry, huckleberry), and amaranth, which makes 1,5-anhydro-d-mannitol a potential biomarker for the consumption of these food products.

   

1'-Hydroxyestragole

1-(4-methoxyphenyl)prop-2-en-1-ol

C10H12O2 (164.0837252)


   

2,3-Dihydro-2,2-dimethyl-7-benzofuranol

2,3-Dihydro-2,2-dimethyl-7-hydroxybenzofuran

C10H12O2 (164.0837252)


   

2,5-Anhydro-D-mannitol

2,5-bis(hydroxymethyl)oxolane-3,4-diol

C6H12O5 (164.06847019999998)


   

D-Quinovose

6-methyloxane-2,3,4,5-tetrol

C6H12O5 (164.06847019999998)


   

Propenylguaiacol

1-Hydroxy-2-methoxy-4-propen-1-ylbenzene

C10H12O2 (164.0837252)


   

Glycerol monolactate

2,3-dihydroxypropyl 2-hydroxypropanoate

C6H12O5 (164.06847019999998)


   

Sorbitan

2-(1,2-dihydroxyethyl)oxolane-3,4-diol

C6H12O5 (164.06847019999998)


   

2-Methoxy-5-prop-1-enylphenol

2-methoxy-5-(prop-1-en-1-yl)phenol

C10H12O2 (164.0837252)


2-methoxy-5-prop-1-enylphenol is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 2-methoxy-5-prop-1-enylphenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-methoxy-5-prop-1-enylphenol can be found in sesame, which makes 2-methoxy-5-prop-1-enylphenol a potential biomarker for the consumption of this food product.

   

2-O-Methylxylose

(2S,3R,4S)-2,4,5-trihydroxy-3-methoxypentanal

C6H12O5 (164.06847019999998)


2-o-methylxylose is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. 2-o-methylxylose is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-o-methylxylose can be found in date, which makes 2-o-methylxylose a potential biomarker for the consumption of this food product.

   

Isochavibetol

2-methoxy-5-[(1Z)-prop-1-en-1-yl]phenol

C10H12O2 (164.0837252)


Isochavibetol is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Isochavibetol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isochavibetol can be found in anise, which makes isochavibetol a potential biomarker for the consumption of this food product.

   

1,5-Anhydroglucitol

1,5-anhydro-D-Glucitol

C6H12O5 (164.06847019999998)


1,5-Anhydrosorbitol is a short-term marker for glycemic control. 1,5-Anhydrosorbitol is a short-term marker for glycemic control.

   

Epifucose

6-Deoxy-alpha-D-glucose

C6H12O5 (164.06847019999998)


   

OCC1=C(C=CC=C1C=C/C)O

OCC1=C(C=CC=C1C=C/C)O

C10H12O2 (164.0837252)


   

Gymnasterkoreayne A

Gymnasterkoreayne A

C10H12O2 (164.0837252)


   
   

Scobinolide

4-(4-Methyl-1,3-pentadienyl)-2(5H)-furanone

C10H12O2 (164.0837252)


   
   

5,5-Dimethyl-1,3,6-cycloheptatriene-1-carboxylic acid

5,5-Dimethyl-1,3,6-cycloheptatriene-1-carboxylic acid

C10H12O2 (164.0837252)


   

Dehydroelshotzione

Dehydroelshotzione

C10H12O2 (164.0837252)


   

4-Isopropylsalicylaldehyde

4-Isopropylsalicylaldehyde

C10H12O2 (164.0837252)


   

5-(4-Pentenyl)-2-furaldehyde

5-(4-Pentenyl)-2-furaldehyde

C10H12O2 (164.0837252)


   

alpha-Thujaplicin

2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one

C10H12O2 (164.0837252)


   

Isoeugenol

Phenol, 2-methoxy-4-(1-propenyl)-, (E)- (9CI)

C10H12O2 (164.0837252)


A phenylpropanoid that is an isomer of eugenol in which the allyl substituent is replaced by a prop-1-enyl group. It is used in flavourings. Occurs in ylang-ylang and other essential oils. Isoeugenol is found in many foods, some of which are celeriac, spearmint, kale, and pepper (c. baccatum). Isoeugenol is an essential oil constituent of nutmeg, clove, and cinnamon. Isoeugenol inhibits growth of Escherichia coli and Listeria innocua with MICs of 0.6 mg/mL and 1 mg/mL, respectively[1]. Isoeugenol is an essential oil constituent of nutmeg, clove, and cinnamon. Isoeugenol inhibits growth of Escherichia coli and Listeria innocua with MICs of 0.6 mg/mL and 1 mg/mL, respectively[1].

   
   

3-Methoxypropiophenone

1-(3-Methoxyphenyl)-1-propanone

C10H12O2 (164.0837252)


   

1-(Methoxyphenyl)-2-propanone

1-(Methoxyphenyl)-2-propanone

C10H12O2 (164.0837252)


   

4-Propylbenzoic acid

4-Propylbenzoic acid

C10H12O2 (164.0837252)


   

Rhamnose

alpha-L-Rhamnose

C6H12O5 (164.06847019999998)


Rhamnose (L-Rhamnose) is a monosaccharide found in plants and bacteria. Rhamnose-conjugated immunogens is used in immunotherapies[1]. Rhamnose crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2]. Rhamnose (L-Rhamnose) is a monosaccharide found in plants and bacteria. Rhamnose-conjugated immunogens is used in immunotherapies[1]. Rhamnose crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2].

   

2-Decene-4,6-diyne-1,10-diol,9CI-(Z)-form

2-Decene-4,6-diyne-1,10-diol,9CI-(Z)-form

C10H12O2 (164.0837252)


   
   
   

Dehydronepetalactone

Dehydronepetalactone

C10H12O2 (164.0837252)


   
   

1,1,5-Trimethyl-2-formyl-cyclohexa-2,5-diene-4-one|1,1,5-Trimethyl-2-formyl-cyclohexadien-(2,5)-on-(4)|1,1,5-Trimethyl-2-formyl-cyclohexadien-(2,5)-on-4

1,1,5-Trimethyl-2-formyl-cyclohexa-2,5-diene-4-one|1,1,5-Trimethyl-2-formyl-cyclohexadien-(2,5)-on-(4)|1,1,5-Trimethyl-2-formyl-cyclohexadien-(2,5)-on-4

C10H12O2 (164.0837252)


   

Ethyl 3-methylbenzoate

Ethyl 3-methylbenzoate

C10H12O2 (164.0837252)


   
   

4-Methyl-2-(2-oxopropyl)phenol

4-Methyl-2-(2-oxopropyl)phenol

C10H12O2 (164.0837252)


   

Phenol, 2-methoxy-4-(1-methylethenyl)-

Phenol, 2-methoxy-4-(1-methylethenyl)-

C10H12O2 (164.0837252)


   

5-Methoxy-2,4-dihydroxytetrahydrofuran-3-methanol

5-Methoxy-2,4-dihydroxytetrahydrofuran-3-methanol

C6H12O5 (164.06847019999998)


   
   

2-methoxy-5-prop-1-enylphenol

2-methoxy-5-prop-1-enylphenol

C10H12O2 (164.0837252)


   
   

7,8-Didehydronepetalactone

7,8-Didehydronepetalactone

C10H12O2 (164.0837252)


   

5,6-dihydro-4,7-dimethylcyclopentapyran-1-(4aH)one

5,6-dihydro-4,7-dimethylcyclopentapyran-1-(4aH)one

C10H12O2 (164.0837252)


   

(E)-p-coumaryl alcohol gamma-O-methyl ether|4-[(1E)-3-methoxy-1-propenyl]phenol

(E)-p-coumaryl alcohol gamma-O-methyl ether|4-[(1E)-3-methoxy-1-propenyl]phenol

C10H12O2 (164.0837252)


   
   
   

1-ethenyl-2,4-dimethoxybenzene

1-ethenyl-2,4-dimethoxybenzene

C10H12O2 (164.0837252)


   

2,6-Diaminopurine,8CI-N2-Me

2,6-Diaminopurine,8CI-N2-Me

C6H8N6 (164.08104079999998)


   
   

5-(furan-3-yl)-2-methylpent-2-enal

5-(furan-3-yl)-2-methylpent-2-enal

C10H12O2 (164.0837252)


   

1,1,5-Trimethyl-2-formyl-cyclohexadien-(2,4)-on-6

1,1,5-Trimethyl-2-formyl-cyclohexadien-(2,4)-on-6

C10H12O2 (164.0837252)


   

4-(2-hydroxyphenyl)butan-2-one

4-(2-hydroxyphenyl)butan-2-one

C10H12O2 (164.0837252)


   

Robinal[aldehyde]

Robinal[aldehyde]

C10H12O2 (164.0837252)


   

2,5-Dimethylphenyl acetate

2,5-Dimethylphenyl acetate

C10H12O2 (164.0837252)


   

1-Hydroxyestragole

1-Hydroxyestragole

C10H12O2 (164.0837252)


   

Viburtinal (4-Methyl-7-formyl-cyclopentapyran)|Viburtinal (4-Methyl-7-formyl-cyclopenta[c]pyran)

Viburtinal (4-Methyl-7-formyl-cyclopentapyran)|Viburtinal (4-Methyl-7-formyl-cyclopenta[c]pyran)

C10H12O2 (164.0837252)


   

9-hydroxy-8,10-dehydrothymol

9-hydroxy-8,10-dehydrothymol

C10H12O2 (164.0837252)


A natural product found in Eupatorium cannabinum subspecies asiaticum.

   

(+)-(1S)-4-methyl-alpha-methylene-2-oxocyclohex-3-eneacetaldehyde|(+)-(S)-vesperal|(S)-(+)-vesperal

(+)-(1S)-4-methyl-alpha-methylene-2-oxocyclohex-3-eneacetaldehyde|(+)-(S)-vesperal|(S)-(+)-vesperal

C10H12O2 (164.0837252)


   

(4S)-(3-oxoprop-1-en-2-yl)cyclohex-1-enecarbaldehyde|(4S)-parectadial

(4S)-(3-oxoprop-1-en-2-yl)cyclohex-1-enecarbaldehyde|(4S)-parectadial

C10H12O2 (164.0837252)


   

2-Allyl-6-methoxyphenol

2-Allyl-6-methoxyphenol

C10H12O2 (164.0837252)


   

(-)-(1R,4R,6S,7S)-2-caren-4,8-olide

(-)-(1R,4R,6S,7S)-2-caren-4,8-olide

C10H12O2 (164.0837252)


   
   
   

2,3,4-TRIMETHYLBENZOIC ACID

2,3,4-TRIMETHYLBENZOIC ACID

C10H12O2 (164.0837252)


   

Car-3-ene-2,5-dione

Car-3-ene-2,5-dione

C10H12O2 (164.0837252)


   

1-(2-methoxy-6-methylphenyl)ethanone

1-(2-methoxy-6-methylphenyl)ethanone

C10H12O2 (164.0837252)


   

(Z)-5-(4-Hexen-2-ynyl)dihydro-2(5H)-furanone|dec-7E-en-5-yn-4-olide

(Z)-5-(4-Hexen-2-ynyl)dihydro-2(5H)-furanone|dec-7E-en-5-yn-4-olide

C10H12O2 (164.0837252)


   

2-allyl-5-methoxyphenol

2-allyl-5-methoxyphenol

C10H12O2 (164.0837252)


   

2,4,5-TRIMETHYLBENZOIC ACID

2,4,5-TRIMETHYLBENZOIC ACID

C10H12O2 (164.0837252)


   

3-O-methyl-alpha,beta-D-xylopyranose|3-O-methyl-D-xylose|O3-methyl-D-xylose|O3-methyl-xi-D-xylopyranose

3-O-methyl-alpha,beta-D-xylopyranose|3-O-methyl-D-xylose|O3-methyl-D-xylose|O3-methyl-xi-D-xylopyranose

C6H12O5 (164.06847019999998)


   

4-Ethylphenyl acetate

4-Ethylphenyl acetate

C10H12O2 (164.0837252)


   
   

1-(2-methoxy-4-methylphenyl)ethanone

1-(2-methoxy-4-methylphenyl)ethanone

C10H12O2 (164.0837252)


   

Me glycoside-alpha-D-threo-2-Pentulose|Me glycoside-beta-D-Furanose-threo-2-Pentulose threo-2-Pentulose

Me glycoside-alpha-D-threo-2-Pentulose|Me glycoside-beta-D-Furanose-threo-2-Pentulose threo-2-Pentulose

C6H12O5 (164.06847019999998)


   

3,5-Dimethyl-4-hydroxyacetophenone

3,5-Dimethyl-4-hydroxyacetophenone

C10H12O2 (164.0837252)


   

4,7-Dimethyl-4a,5-dihydrocyclopenta[c]pyran-3(4H)-one

4,7-Dimethyl-4a,5-dihydrocyclopenta[c]pyran-3(4H)-one

C10H12O2 (164.0837252)


   

5-Deoxy-3-C-hydroxymethyllyxose,9CI

5-Deoxy-3-C-hydroxymethyllyxose,9CI

C6H12O5 (164.06847019999998)


   

4, 6-Decadiynoic acid|Deca-4,6-diinsaeure|deca-4,6-diynoic acid|decane-4,6-diynoic acid

4, 6-Decadiynoic acid|Deca-4,6-diinsaeure|deca-4,6-diynoic acid|decane-4,6-diynoic acid

C10H12O2 (164.0837252)


   
   

(+/-)-o-mentha-1,3-dien-1->8-olide|3,3-dimethyl-3a,4-dihydro-3H-isobenzofuran-1-one|o-Mentha-1,3-dien-1->8-olid

(+/-)-o-mentha-1,3-dien-1->8-olide|3,3-dimethyl-3a,4-dihydro-3H-isobenzofuran-1-one|o-Mentha-1,3-dien-1->8-olid

C10H12O2 (164.0837252)


   

10-Hydroxy-4,6-decadiyn-3-one|10-hydroxy-deca-4,6-diyn-3-one

10-Hydroxy-4,6-decadiyn-3-one|10-hydroxy-deca-4,6-diyn-3-one

C10H12O2 (164.0837252)


   

6-pent-1-enylpyran-2-one

6-pent-1-enylpyran-2-one

C10H12O2 (164.0837252)


   
   

2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-(1-methylethyl)-

2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-(1-methylethyl)-

C10H12O2 (164.0837252)


   

2,3,6-TRIMETHYLBENZOIC ACID

2,3,6-TRIMETHYLBENZOIC ACID

C10H12O2 (164.0837252)


   
   

4-methoxy-2-prop-1-enylphenol

4-methoxy-2-prop-1-enylphenol

C10H12O2 (164.0837252)


   

D-(+)-Fucose

(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal

C6H12O5 (164.06847019999998)


D-(+)-Fucose is a nonmetabolizable analogue of l-arabinose. D-(+)-Fucose prevents growth of Escherichia coli B/r on a mineral salts medium plus l-arabinose by inhibiting induction of the l-arabinose operon[1]. D-fucose is a potent inducer of beta-methylgalactoside permease (MGP)[2].

   

Hinokitiol

beta-thujaplicin

C10H12O2 (164.0837252)


Origin: Plant; Formula(Parent): C10H12O2; Bottle Name:Hinokitiol; PRIME Parent Name:Hinokitiol; PRIME in-house No.:S0323; SubCategory_DNP: Monoterpenoids, Tropolone monoterpenoids D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents Hinokitiol is a component of essential oils isolated from Chymacyparis obtusa, reduces Nrf2 expression, and decreases DNMT1 and UHRF1 mRNA and protein expression, with anti-infective, anti-oxidative, and anti-tumor activities. Hinokitiol is a component of essential oils isolated from Chymacyparis obtusa, reduces Nrf2 expression, and decreases DNMT1 and UHRF1 mRNA and protein expression, with anti-infective, anti-oxidative, and anti-tumor activities.

   

alpha-L-Rhamnose

(2R,3R,4S,5S)-2,3,4,5-Tetrahydroxyhexanal

C6H12O5 (164.06847019999998)


Rhamnose (L-Rhamnose) is a monosaccharide found in plants and bacteria. Rhamnose-conjugated immunogens is used in immunotherapies[1]. Rhamnose crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2]. Rhamnose (L-Rhamnose) is a monosaccharide found in plants and bacteria. Rhamnose-conjugated immunogens is used in immunotherapies[1]. Rhamnose crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2].

   

Benzenebutanoic acid

Benzenebutanoic acid

C10H12O2 (164.0837252)


   

3-Phenylbutyric acid

(±)-β-Methylhydrocinnamic acid

C10H12O2 (164.0837252)


A monocarboxylic acid that is butanoic acid substituted by a phenyl group at position 3. 3-Phenylbutyric acid is metabolized by initial oxidation of the benzene ring and by initial oxidation of the side chain. 3-Phenylbutyric acid can be used to isolate Rhodococcus rhodochrous PB1 from compost soil[1][2].

   
   

4-Isopropylbenzoic acid

4-Isopropylbenzoic acid

C10H12O2 (164.0837252)


   

Eugenol

Eugenol

C10H12O2 (164.0837252)


C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent D000890 - Anti-Infective Agents D012997 - Solvents Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation. Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation.

   

Thymoquinone

Thymoquinone

C10H12O2 (164.0837252)


Thymoquinone is an orally active natural product isolated from N. sativa Thymoquinone down-regulates the VEGFR2-PI3K-Akt pathway. Thymoquinone has antioxidant, anti-inflammatory, anticancer, antiviral, anticonvulsant, antifungal, antiviral, antiangiogenic activity and hepatoprotective effects. Thymoquinone can be used to study Alzheimer's disease, cancer, cardiovascular disease, infectious disease and inflammation [1][2][3][4][5].

   

L-Fucose

L-Fucose

C6H12O5 (164.06847019999998)


(-)-Fucose is classified as a member of the hexoses, plays a role in A and B blood group antigen substructure determination, selectin-mediated leukocyte-endothelial adhesion, and host-microbe interactions. (-)-Fucose is classified as a member of the hexoses, plays a role in A and B blood group antigen substructure determination, selectin-mediated leukocyte-endothelial adhesion, and host-microbe interactions. (-)-Fucose is classified as a member of the hexoses, plays a role in A and B blood group antigen substructure determination, selectin-mediated leukocyte-endothelial adhesion, and host-microbe interactions. (-)-Fucose is classified as a member of the hexoses, plays a role in A and B blood group antigen substructure determination, selectin-mediated leukocyte-endothelial adhesion, and host-microbe interactions.

   

UNII:S7S079H2C2

2-Phenylbutyric acid

C10H12O2 (164.0837252)


A monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2. C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent 2-Phenylbutanoic acid is an endogenous metabolite.

   
   
   

2,4,6-Trimethylbenzoic acid

2,4,6-Trimethylbenzoic acid

C10H12O2 (164.0837252)


CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4360; ORIGINAL_PRECURSOR_SCAN_NO 4357 CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4383; ORIGINAL_PRECURSOR_SCAN_NO 4380 CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4360; ORIGINAL_PRECURSOR_SCAN_NO 4359 CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4447; ORIGINAL_PRECURSOR_SCAN_NO 4443 CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4353; ORIGINAL_PRECURSOR_SCAN_NO 4351

   

raspberry ketone

4-(4-Hydroxyphenyl)-2-butanone

C10H12O2 (164.0837252)


INTERNAL_ID 883; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7868; ORIGINAL_PRECURSOR_SCAN_NO 7864 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7868; ORIGINAL_PRECURSOR_SCAN_NO 7864 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7925; ORIGINAL_PRECURSOR_SCAN_NO 7921 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7889; ORIGINAL_PRECURSOR_SCAN_NO 7886 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7929; ORIGINAL_PRECURSOR_SCAN_NO 7926 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7919; ORIGINAL_PRECURSOR_SCAN_NO 7916 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7925; ORIGINAL_PRECURSOR_SCAN_NO 7922 Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity. Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity. Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity.

   
   

Fucose

(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal

C6H12O5 (164.06847019999998)


(-)-Fucose is classified as a member of the hexoses, plays a role in A and B blood group antigen substructure determination, selectin-mediated leukocyte-endothelial adhesion, and host-microbe interactions. (-)-Fucose is classified as a member of the hexoses, plays a role in A and B blood group antigen substructure determination, selectin-mediated leukocyte-endothelial adhesion, and host-microbe interactions. (-)-Fucose is classified as a member of the hexoses, plays a role in A and B blood group antigen substructure determination, selectin-mediated leukocyte-endothelial adhesion, and host-microbe interactions. (-)-Fucose is classified as a member of the hexoses, plays a role in A and B blood group antigen substructure determination, selectin-mediated leukocyte-endothelial adhesion, and host-microbe interactions.

   

2-Phenylbutyric acid

2-Phenylbutyric acid

C10H12O2 (164.0837252)


   
   

4-PHENYLBUTYRIC ACID

4-PHENYLBUTYRIC ACID

C10H12O2 (164.0837252)


   
   
   
   
   

alpha-D-Fucose

alpha-D-Fucose

C6H12O5 (164.06847019999998)


D-(+)-Fucose is a nonmetabolizable analogue of l-arabinose. D-(+)-Fucose prevents growth of Escherichia coli B/r on a mineral salts medium plus l-arabinose by inhibiting induction of the l-arabinose operon[1]. D-fucose is a potent inducer of beta-methylgalactoside permease (MGP)[2].

   

3-Allyl-6-methoxyphenol

3-Allyl-6-methoxyphenol

C10H12O2 (164.0837252)


   
   

Digitoxic acid

3,4,5-trihydroxy-hexanoic acid

C6H12O5 (164.06847019999998)


   

2,4-decadiynoic acid

2,4-decadiynoic acid

C10H12O2 (164.0837252)


   

3-Deoxyhexulose

(4S,5R)-1,4,5,6-Tetrahydroxyhexan-2-one

C6H12O5 (164.06847019999998)


   

Methyl 3-phenylpropionate

beta-Phenylpropionic acid methyl ester

C10H12O2 (164.0837252)


Methyl 3-phenylpropanoate is an endogenous metabolite.

   

benzyl propanoate

Propionic acid, benzyl ester (6ci,7ci,8ci)

C10H12O2 (164.0837252)


   

PROPYL BENZOATE

Benzoic acid N-propyl ester

C10H12O2 (164.0837252)


A benzoate ester obtained by condensation of benzoic acid and propanol. It has a balsamic odor reminescent of nuts with a sweet, fruity, nut-like taste.

   

Isopropyl Benzoate

Benzoic acid, 1-methylethyl ester

C10H12O2 (164.0837252)


   

3-hydroxy-4-phenylbutan-2-one

2-Butanone, 3-hydroxy-4-phenyl

C10H12O2 (164.0837252)


   

p-Methoxycinnamyl alcohol

2-Propen-1-ol, 3-(4-methoxyphenyl)- (9ci)

C10H12O2 (164.0837252)


   

&alpha

Acetic acid, phenyl-, ethyl ester

C10H12O2 (164.0837252)


   

Gardenol

Benzenemethanol, alpha-methyl-, 1-acetate

C10H12O2 (164.0837252)


   

Anisketone

InChI=1\C10H12O2\c1-8(11)7-9-3-5-10(12-2)6-4-9\h3-6H,7H2,1-2H

C10H12O2 (164.0837252)


   

Butyl isopropyl disulfide

Butyl 1-methylethyl disulfide, 9ci

C7H16S2 (164.0693376)


   

Butyl propyl disulfide

N-Propyl N-butyl disulphide

C7H16S2 (164.0693376)


   

Phenylpropyl formate

1-Propanol, 3-phenyl-, formate

C10H12O2 (164.0837252)


   

Epoxyanethole

2-(4-Methoxyphenyl)-3-methyl-oxirane

C10H12O2 (164.0837252)


   

Lepalone

5-(furan-3-yl)-2-methylpent-1-en-3-one

C10H12O2 (164.0837252)


   

Isoegomaketone

(2E)-1-(furan-3-yl)-4-methylpent-2-en-1-one

C10H12O2 (164.0837252)


   

FEMA 2130

Benzaldehyde propylene glycol acetal

C10H12O2 (164.0837252)


   

FEMA 3755

3,6-dimethyl-2,4,5,6-tetrahydro-1-benzofuran-2-one

C10H12O2 (164.0837252)


   

Egomacetone

1-(3-Furanyl)-4-methyl-3-penten-1-one, 9ci

C10H12O2 (164.0837252)


   

1-(Methylthio)-1-hexanethiol

1-(methylsulfanyl)hexane-1-thiol

C7H16S2 (164.0693376)


   

FEMA 3138

4-Ethenyl-1,2-dimethoxy-benzene

C10H12O2 (164.0837252)


   

PH Ester

Butanoic acid, 9ci

C10H12O2 (164.0837252)


   

alpha-L-Fucose

(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol

C6H12O5 (164.06847019999998)


An L-fucopyranose having alpha-configuration at the anomeric centre.

   

FA 10:4

2,4-decadiynoic acid

C10H12O2 (164.0837252)


   

SFE 10:4

Methyl 3-phenylpropanoate

C10H12O2 (164.0837252)


   

2-Hydroxy-4,5-dimethylacetophenone

2-Hydroxy-4,5-dimethylacetophenone

C10H12O2 (164.0837252)


   

3-propan-2-yloxybenzaldehyde

3-propan-2-yloxybenzaldehyde

C10H12O2 (164.0837252)


   

2-tert-Butyl-1,4-benzoquinone

2-tert-Butyl-1,4-benzoquinone

C10H12O2 (164.0837252)


   

CHEMBRDG-BB 4016822

CHEMBRDG-BB 4016822

C10H12O2 (164.0837252)


   

2-METHOXYPHENYLACETONE

2-METHOXYPHENYLACETONE

C10H12O2 (164.0837252)


   

(2,5-Dimethylphenyl)acetic acid

(2,5-Dimethylphenyl)acetic acid

C10H12O2 (164.0837252)


   

2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol

2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol

C7H8N4O (164.06980779999998)


   

methyl 4-ethylbenzoate

methyl 4-ethylbenzoate

C10H12O2 (164.0837252)


   

methyl beta-l-arabinopyranoside

methyl beta-l-arabinopyranoside

C6H12O5 (164.06847019999998)


   

2,8-dimethyl-3,5-dihydropurin-6-one

2,8-dimethyl-3,5-dihydropurin-6-one

C7H8N4O (164.06980779999998)


   

1-(2-Methoxy-3-methylphenyl)ethanone

1-(2-Methoxy-3-methylphenyl)ethanone

C10H12O2 (164.0837252)


   

4-Ethoxy-3-methylbenzaldehyde

4-Ethoxy-3-methylbenzaldehyde

C10H12O2 (164.0837252)


   

Piperazine, 1-acetyl-, Monohydrochloride

Piperazine, 1-acetyl-, Monohydrochloride

C6H13ClN2O (164.0716358)


   

2-dimethylamino-6-fluorobenzonitrile

2-dimethylamino-6-fluorobenzonitrile

C9H9FN2 (164.0749726)


   

1H-Pyrazolo[3,4-d]pyrimidine, 4-ethoxy-

1H-Pyrazolo[3,4-d]pyrimidine, 4-ethoxy-

C7H8N4O (164.06980779999998)


   
   

Methyl 3,4-dimethylbenzoate

Methyl 3,4-dimethylbenzoate

C10H12O2 (164.0837252)


   

5-NORBORNENE-2-ACRYLIC ACID

5-NORBORNENE-2-ACRYLIC ACID

C10H12O2 (164.0837252)


   
   

1-methoxy-2-indanol

1-methoxy-2-indanol

C10H12O2 (164.0837252)


   

Benzeneacetamide, a-ethyl-

Benzeneacetamide, a-ethyl-

C10H12O2 (164.0837252)


   

3-(2-Methylphenyl)propanoic acid

3-(2-Methylphenyl)propanoic acid

C10H12O2 (164.0837252)


   

1-(3-Methoxyphenyl)acetone

1-(3-Methoxyphenyl)acetone

C10H12O2 (164.0837252)


   

3-(p-Tolyl)propionic acid

3-(4-Methylphenyl)propanoic acid

C10H12O2 (164.0837252)


   

2-ethoxyacetophenone

2-ethoxyacetophenone

C10H12O2 (164.0837252)


   

Benzenepropanal,2-methoxy-

Benzenepropanal,2-methoxy-

C10H12O2 (164.0837252)


   

1,4-Bis[(2H)sulfanyl]-2,3-(2H6)butane(2H2)diol

1,4-Bis[(2H)sulfanyl]-2,3-(2H6)butane(2H2)diol

C4D10O2S2 (164.07499178)


   

4-METHYL-1,4-DIAZEPAN-5-ONE HYDROCHLORIDE

4-METHYL-1,4-DIAZEPAN-5-ONE HYDROCHLORIDE

C6H13ClN2O (164.0716358)


   

4-Hydroxy-7-methoxyindane

4-Hydroxy-7-methoxyindane

C10H12O2 (164.0837252)


   

adamantane-2,6-dione

adamantane-2,6-dione

C10H12O2 (164.0837252)


   
   
   

4-Acetylphenetole

4-Acetylphenetole

C10H12O2 (164.0837252)


   

2-[(2-Methylphenoxy)methyl]oxirane

2-[(2-Methylphenoxy)methyl]oxirane

C10H12O2 (164.0837252)


   

5(2 HYDROXYETHYL)2,3 DIHYDRO BENZOFURAN

5(2 HYDROXYETHYL)2,3 DIHYDRO BENZOFURAN

C10H12O2 (164.0837252)


   

2,2,3,3-tetradeuteriobutane-1,4-diamine,dihydrochloride

2,2,3,3-tetradeuteriobutane-1,4-diamine,dihydrochloride

C4H10Cl2D4N2 (164.07850711199998)


   

3-(5-Hydroxy-2-methylphenyl)propanal

3-(5-Hydroxy-2-methylphenyl)propanal

C10H12O2 (164.0837252)


   

4-hydroxy-3-phenylbutan-2-one

4-hydroxy-3-phenylbutan-2-one

C10H12O2 (164.0837252)


   

2,2-dimethyl-3H-1-benzofuran-3-ol

2,2-dimethyl-3H-1-benzofuran-3-ol

C10H12O2 (164.0837252)


   

3,4-Dihydroxy-2,5-dimethoxytetrahydrofuran

3,4-Dihydroxy-2,5-dimethoxytetrahydrofuran

C6H12O5 (164.06847019999998)


   

1-Hydroxy-4-phenyl-2-butanone

1-Hydroxy-4-phenyl-2-butanone

C10H12O2 (164.0837252)


   

Dicyclopentadienediepoxide

Dicyclopentadienediepoxide

C10H12O2 (164.0837252)


   

5-ETHYL-2-HYDROXYACETOPHENONE

5-ETHYL-2-HYDROXYACETOPHENONE

C10H12O2 (164.0837252)


   
   

1,3-Dioxane, 4-phenyl-

1,3-Dioxane, 4-phenyl-

C10H12O2 (164.0837252)


   

4-Propoxybenzaldehyde

4-Propoxybenzaldehyde

C10H12O2 (164.0837252)


   

6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C7H8N4O (164.06980779999998)


   

3-phenoxybutan-2-one

3-phenoxybutan-2-one

C10H12O2 (164.0837252)


   
   

N-(2-aminoethyl)cyclopropanecarboxamide

N-(2-aminoethyl)cyclopropanecarboxamide

C6H13ClN2O (164.0716358)


   

Benzyl Glycidyl Ether

Benzyl Glycidyl Ether

C10H12O2 (164.0837252)


   
   

3-methoxy-3-phenyloxetane

3-methoxy-3-phenyloxetane

C10H12O2 (164.0837252)


   

Urea, N-hydroxy-N,N-bis(2-hydroxyethyl)- (9CI)

Urea, N-hydroxy-N,N-bis(2-hydroxyethyl)- (9CI)

C5H12N2O4 (164.07970319999998)


   

2-(2-methylprop-2-enoxy)phenol

2-(2-methylprop-2-enoxy)phenol

C10H12O2 (164.0837252)


   

α-isodurylic acid

α-isodurylic acid

C10H12O2 (164.0837252)


   

2-Propylbenzoic acid

2-Propylbenzoic acid

C10H12O2 (164.0837252)


   

(1R,2R)-trans-1,2,3,4-Tetrahydro-1,2-naphthalenediol

(1R,2R)-trans-1,2,3,4-Tetrahydro-1,2-naphthalenediol

C10H12O2 (164.0837252)


   

2,3-DIMETHYL-PARA-ANISALDEHYDE

2,3-DIMETHYL-PARA-ANISALDEHYDE

C10H12O2 (164.0837252)


   

(+)-cis-1(R),2(S)-1,2-Dihydroxy-1,2,3,4-tetrahydronaphthalene

(+)-cis-1(R),2(S)-1,2-Dihydroxy-1,2,3,4-tetrahydronaphthalene

C10H12O2 (164.0837252)


   

5,6-Diamino-1H-benzimidazol-2-ol

5,6-Diamino-1H-benzimidazol-2-ol

C7H8N4O (164.06980779999998)


   

(E,E,E)-2,7-dimethylocta-2,4,6-trienedial

(E,E,E)-2,7-dimethylocta-2,4,6-trienedial

C10H12O2 (164.0837252)


   

1,3-Dimethyl-1,5-dihydro-4H-pyrazolo-[3,4-d]pyrimidin-4-one

1,3-Dimethyl-1,5-dihydro-4H-pyrazolo-[3,4-d]pyrimidin-4-one

C7H8N4O (164.06980779999998)


   

4-(3-hydroxypropyl)benzaldehyde

4-(3-hydroxypropyl)benzaldehyde

C10H12O2 (164.0837252)


   
   

Benzaldehyde,3-hydroxy-4-(1-methylethyl)- (9ci)

Benzaldehyde,3-hydroxy-4-(1-methylethyl)- (9ci)

C10H12O2 (164.0837252)


   

7-HYDRAZINO-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE

7-HYDRAZINO-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE

C6H8N6 (164.08104079999998)


   
   

1,1-Dimethyl-1,3-dihydro-2,1-benzoxasilole

1,1-Dimethyl-1,3-dihydrobenzo[c][1,2]oxasilole

C9H12OSi (164.0657382)


   

3,4,5-trimethylbenzoic acid

3,4,5-trimethylbenzoic acid

C10H12O2 (164.0837252)


   

(6-Fluoro-1H-indol-3-yl)methanamine

(6-Fluoro-1H-indol-3-yl)methanamine

C9H9FN2 (164.0749726)


   

7-FLUORO-1H-INDOL-3-METHYLAMINE

7-FLUORO-1H-INDOL-3-METHYLAMINE

C9H9FN2 (164.0749726)


   

2-butylcyclohexa-2,5-diene-1,4-dione

2-butylcyclohexa-2,5-diene-1,4-dione

C10H12O2 (164.0837252)


   

5-methyl-3,4-dihydro-2H-chromen-4-ol

5-methyl-3,4-dihydro-2H-chromen-4-ol

C10H12O2 (164.0837252)


   

(R)-(-)-Benzyl glycidyl ether

(R)-(-)-Benzyl glycidyl ether

C10H12O2 (164.0837252)


   

Cresyl glycidyl ether

Cresyl glycidyl ether

C10H12O2 (164.0837252)


   

Phenol, 4-ethyl-,1-acetate

Phenol, 4-ethyl-,1-acetate

C10H12O2 (164.0837252)


   

Oxirane,2-[(4-methylphenoxy)methyl]-

Oxirane,2-[(4-methylphenoxy)methyl]-

C10H12O2 (164.0837252)


   
   

Methyl p-tolylacetate

4-Methylbenzyl acetate

C10H12O2 (164.0837252)


   

4-Amino-1-methylpiperidin-2-one hydrochloride

4-Amino-1-methylpiperidin-2-one hydrochloride

C6H13ClN2O (164.0716358)


   

1-(2-Hydroxy-4,6-dimethylphenyl)ethanone

1-(2-Hydroxy-4,6-dimethylphenyl)ethanone

C10H12O2 (164.0837252)


   

4-methoxy-2-methylacetophenone

4-methoxy-2-methylacetophenone

C10H12O2 (164.0837252)


   

carbofuran phenol

2,3-Dihydro-2,2-dimethyl-7-benzofuranol

C10H12O2 (164.0837252)


   

2-Methoxy-1H-pyrrolo[2,3-d]pyrimidin-4-amine

2-Methoxy-1H-pyrrolo[2,3-d]pyrimidin-4-amine

C7H8N4O (164.06980779999998)


   

(3,4-Dimethylphenyl)acetic acid

(3,4-Dimethylphenyl)acetic acid

C10H12O2 (164.0837252)


   

methyl 2,4-dimethylbenzoate

methyl 2,4-dimethylbenzoate

C10H12O2 (164.0837252)


   

2-((Benzyloxy)methyl)oxirane

2-((Benzyloxy)methyl)oxirane

C10H12O2 (164.0837252)


   

(2,3-Dimethylphenyl)acetic acid

(2,3-Dimethylphenyl)acetic acid

C10H12O2 (164.0837252)


   

1-(4-Hydroxyphenyl)butan-1-one

1-(4-Hydroxyphenyl)butan-1-one

C10H12O2 (164.0837252)


   

3,4-dihydro-2h-chromen-3-ylmethanol

3,4-dihydro-2h-chromen-3-ylmethanol

C10H12O2 (164.0837252)


   

3,4-Dihydro-2H-chromen-2-yl methanol

3,4-Dihydro-2H-chromen-2-yl methanol

C10H12O2 (164.0837252)


   

(r)-(-)-2-phenylbutyric acid

(r)-(-)-2-phenylbutyric acid

C10H12O2 (164.0837252)


   
   

Ethyl 4-methylbenzoate

Ethyl 4-methylbenzoate

C10H12O2 (164.0837252)


   

2-Propanone,1-(3-methylphenoxy)-

2-Propanone,1-(3-methylphenoxy)-

C10H12O2 (164.0837252)


   

1-Methyl-1,4-diazepan-2-one hydrochloride

1-Methyl-1,4-diazepan-2-one hydrochloride

C6H13ClN2O (164.0716358)


   

1-(2-HYDROXYPHENYL)PROPAN-1-ONEOXIME

1-(2-HYDROXYPHENYL)PROPAN-1-ONEOXIME

C10H12O2 (164.0837252)


   

6-METHOXY-ISOCHROMAN

6-METHOXY-ISOCHROMAN

C10H12O2 (164.0837252)


   

2-HYDROXY-5-ISOPROPYL-BENZALDEHYDE

2-HYDROXY-5-ISOPROPYL-BENZALDEHYDE

C10H12O2 (164.0837252)


   

4-isopropoxybenzaldehyde

4-isopropoxybenzaldehyde

C10H12O2 (164.0837252)


ALDH1A3-IN-3 (compound 16) is a potent inhibitor of ALDH1A3, with an IC50 of 0.26 μM. ALDH1A3-IN-3 is also a good ALDH3A1 substrate. ALDH1A3-IN-3 can be used for the research of prostate cancer[1].

   

1-methoxy-3,4-dihydro-1H-isochromene

1-methoxy-3,4-dihydro-1H-isochromene

C10H12O2 (164.0837252)


   

(S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H

(S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H

C10H12O2 (164.0837252)


   

2-Hydroxy-2-methylpropiophenone

2-Hydroxy-2-methyl propiophenone

C10H12O2 (164.0837252)


   

4-Methoxy-3,5-dimethylbenzaldehyde

4-Methoxy-3,5-dimethylbenzaldehyde

C10H12O2 (164.0837252)


   

2,3-DIMETHYLPROPYLDIMETHYLCHLOROSILANE

2,3-DIMETHYLPROPYLDIMETHYLCHLOROSILANE

C7H17ClSi (164.0787992)


   

Pentane, 1,5-bis (methylthio)-

Pentane, 1,5-bis (methylthio)-

C7H16S2 (164.0693376)


   

3-(Benzyloxy)propanal

3-(Benzyloxy)propanal

C10H12O2 (164.0837252)


   

2-(Ethylamino)-6-fluorobenzenecarbonitrile

2-(Ethylamino)-6-fluorobenzenecarbonitrile

C9H9FN2 (164.0749726)


   

Benzaldehyde, 4-ethoxy-2-Methyl-

Benzaldehyde, 4-ethoxy-2-Methyl-

C10H12O2 (164.0837252)


   

(3-Phenyloxetan-3-yl)methanol

(3-Phenyloxetan-3-yl)methanol

C10H12O2 (164.0837252)


   

N-(Azetidin-3-yl)-N-methylacetamide hydrochloride

N-(Azetidin-3-yl)-N-methylacetamide hydrochloride

C6H13ClN2O (164.0716358)


   

7A-METHYL-2,3,7,7A-TETRAHYDRO-1H-INDENE-1,5(6H)-DIONE

7A-METHYL-2,3,7,7A-TETRAHYDRO-1H-INDENE-1,5(6H)-DIONE

C10H12O2 (164.0837252)


   
   

3-Amino-2-azepanone hydrochloride (1:1)

3-Amino-2-azepanone hydrochloride (1:1)

C6H13ClN2O (164.0716358)


   

methyl alpha-D-xylopyranoside

methyl alpha-D-xylopyranoside

C6H12O5 (164.06847019999998)


   

1-(3-Methoxy-5-methylphenyl)ethanone

1-(3-Methoxy-5-methylphenyl)ethanone

C10H12O2 (164.0837252)


   

5-Amino-4-fluoro-2-methylindole

5-Amino-4-fluoro-2-methylindole

C9H9FN2 (164.0749726)


   

5-((1S)-Aminoethyl)-2-fluorobenzonitrile

5-((1S)-Aminoethyl)-2-fluorobenzonitrile

C9H9FN2 (164.0749726)


   

3-HYDROXY-1-PHENYLBUTAN-2-ONE

3-HYDROXY-1-PHENYLBUTAN-2-ONE

C10H12O2 (164.0837252)


   

METHYL-Β-D-ARABINO- PYRANOSIDE

METHYL-Β-D-ARABINO- PYRANOSIDE

C6H12O5 (164.06847019999998)


   

1-(4-ethyl-2-hydroxyphenyl)ethanone

1-(4-ethyl-2-hydroxyphenyl)ethanone

C10H12O2 (164.0837252)


   
   

Methyl (2-methylphenyl)acetate

Methyl (2-methylphenyl)acetate

C10H12O2 (164.0837252)


   

3,5-Dimethylphenylacetic acid

3,5-Dimethylphenylacetic acid

C10H12O2 (164.0837252)


   

3,5-Dimethyl-2-hydroxyacetophenone

3,5-Dimethyl-2-hydroxyacetophenone

C10H12O2 (164.0837252)


   

1-(2-hydroxy-5-methylphenyl)propan-1-one

1-(2-hydroxy-5-methylphenyl)propan-1-one

C10H12O2 (164.0837252)


   

1H-Imidazo[4,5-b]pyrazine,1-(methoxymethyl)-(9CI)

1H-Imidazo[4,5-b]pyrazine,1-(methoxymethyl)-(9CI)

C7H8N4O (164.06980779999998)


   

ISOBUTYRIC ACID PHENYL ESTER

ISOBUTYRIC ACID PHENYL ESTER

C10H12O2 (164.0837252)


   

Methyl 2-(m-tolyl)acetate

Methyl 2-(m-tolyl)acetate

C10H12O2 (164.0837252)


   

(2,6-Dimethylphenyl)acetic acid

(2,6-Dimethylphenyl)acetic acid

C10H12O2 (164.0837252)


   

3-hydroxy-2-methyl-1-phenylpropan-1-one

3-hydroxy-2-methyl-1-phenylpropan-1-one

C10H12O2 (164.0837252)


   

1,4-Naphthalenedione,2,3,4a,5,8,8a-hexahydro-

1,4-Naphthalenedione,2,3,4a,5,8,8a-hexahydro-

C10H12O2 (164.0837252)


   

3,4,7,8-tetrahydronaphthalene-1,6(2H,5H)-dione

3,4,7,8-tetrahydronaphthalene-1,6(2H,5H)-dione

C10H12O2 (164.0837252)


   

HeBF 2-(2,3-Dihydro-benzofuran-4-yl)-ethanol

HeBF 2-(2,3-Dihydro-benzofuran-4-yl)-ethanol

C10H12O2 (164.0837252)


   

2-(1H-PYRAZOLO[3,4-B]PYRAZIN-1-YL)ETHANOL

2-(1H-PYRAZOLO[3,4-B]PYRAZIN-1-YL)ETHANOL

C7H8N4O (164.06980779999998)


   

2-AMINO-7-METHYL-3H-PYRROLO[2,3-D]PYRIMIDIN-4(7H)-ONE

2-AMINO-7-METHYL-3H-PYRROLO[2,3-D]PYRIMIDIN-4(7H)-ONE

C7H8N4O (164.06980779999998)


   

1-(3-ethoxyphenyl)ethanone

1-(3-ethoxyphenyl)ethanone

C10H12O2 (164.0837252)


   

(2-Cyclopropylpyrimidin-5-yl)boronic acid

(2-Cyclopropylpyrimidin-5-yl)boronic acid

C7H9BN2O2 (164.0757044)


   

Phenol, 2,5-dimethyl-,1-acetate

Phenol, 2,5-dimethyl-,1-acetate

C10H12O2 (164.0837252)


   

Benzeneacetaldehyde,4-methoxy-a-methyl-

Benzeneacetaldehyde,4-methoxy-a-methyl-

C10H12O2 (164.0837252)


   

Propanoic acid,4-methylphenyl ester

Propanoic acid,4-methylphenyl ester

C10H12O2 (164.0837252)


   

1H-Inden-1-ol,2,3-dihydro-5-methoxy-

1H-Inden-1-ol,2,3-dihydro-5-methoxy-

C10H12O2 (164.0837252)


   

(S)-(+)-Benzyl glycidyl ether

(S)-(+)-Benzyl glycidyl ether

C10H12O2 (164.0837252)


   

1-hydroperoxy-1,2,3,4-tetrahydronaphthalene

1-hydroperoxy-1,2,3,4-tetrahydronaphthalene

C10H12O2 (164.0837252)


   
   

Methyl 3,5-dimethylbenzoate

Methyl 3,5-dimethylbenzoate

C10H12O2 (164.0837252)


   

2-Amino-1-(1-pyrrolidinyl)-1-ethanone hydrochloride

2-Amino-1-(1-pyrrolidinyl)-1-ethanone hydrochloride

C6H13ClN2O (164.0716358)


   

2-Isopropoxybenzaldehyde

2-Isopropoxybenzaldehyde

C10H12O2 (164.0837252)


   

2-methoxypropiophenone

2-methoxypropiophenone

C10H12O2 (164.0837252)


   
   

Methyl β-D-arabinopyranoside

Methyl β-D-arabinopyranoside

C6H12O5 (164.06847019999998)


   

Chloro(diethyl)isopropylsilane

Chloro(diethyl)isopropylsilane

C7H17ClSi (164.0787992)


   

n-Pentyldimethylchlorosilane

n-Pentyldimethylchlorosilane

C7H17ClSi (164.0787992)


   

2-Isopropylbenzoic acid

2-Isopropylbenzoic acid

C10H12O2 (164.0837252)


   

1-(Fluoromethyl)-2-methyl-1H-benzimidazole

1-(Fluoromethyl)-2-methyl-1H-benzimidazole

C9H9FN2 (164.0749726)


   

Sorbitan

2-(hydroxymethyl)oxane-3,4,5-triol

C6H12O5 (164.06847019999998)


   

1-Methyl-4-piperidone Oxime Hydrochloride

1-Methyl-4-piperidone Oxime Hydrochloride

C6H13ClN2O (164.0716358)


   
   
   

3-Ethyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine

3-Ethyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine

C9H9FN2 (164.0749726)


   

(S)-N-(Pyrrolidin-3-yl)acetamide hydrochloride

(S)-N-(Pyrrolidin-3-yl)acetamide hydrochloride

C6H13ClN2O (164.0716358)


   

1-methylsulfanyl-4-prop-2-enylbenzene

1-methylsulfanyl-4-prop-2-enylbenzene

C10H12S (164.0659672)


   

(5-CHLOROTHIEN-2-YL)METHYLAMINE

(5-CHLOROTHIEN-2-YL)METHYLAMINE

C9H9FN2 (164.0749726)


   

(2S,3R,4S)-5-hydrazinylidenepentane-1,2,3,4-tetrol

(2S,3R,4S)-5-hydrazinylidenepentane-1,2,3,4-tetrol

C5H12N2O4 (164.07970319999998)


   

piperidine-3-carboxamide hydrochloride

piperidine-3-carboxamide hydrochloride

C6H13ClN2O (164.0716358)


   

[(5-Fluoro-1H-indol-2-yl)methyl]amine

[(5-Fluoro-1H-indol-2-yl)methyl]amine

C9H9FN2 (164.0749726)


   
   

Silane, (chloroMethyl)(1,1-diMethylethyl)diMethyl-

Silane, (chloroMethyl)(1,1-diMethylethyl)diMethyl-

C7H17ClSi (164.0787992)


   

N-(aminoiminomethyl)-4-Pyridinecarboxamide

N-(aminoiminomethyl)-4-Pyridinecarboxamide

C7H8N4O (164.06980779999998)


   

(+/-)-3-AMINOHEXAHYDRO-2H-AZEPIN-2-ONE HYDROCHLORIDE

(+/-)-3-AMINOHEXAHYDRO-2H-AZEPIN-2-ONE HYDROCHLORIDE

C6H13ClN2O (164.0716358)


   

5-METHYL-3-(4H-1,2,4-TRIAZOL-4-YL)-1H-PYRAZOL-4-AMINE

5-METHYL-3-(4H-1,2,4-TRIAZOL-4-YL)-1H-PYRAZOL-4-AMINE

C6H8N6 (164.08104079999998)


   

1-Ethyl-6-fluoro-1H-benzo[d]imidazole

1-Ethyl-6-fluoro-1H-benzo[d]imidazole

C9H9FN2 (164.0749726)


   
   

8-METHOXY-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YLAMINE

8-METHOXY-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YLAMINE

C7H8N4O (164.06980779999998)


   
   

4-Methoxy-7H- Pyrrolo[2,3-d] pyrimidin-2-amine

4-Methoxy-7H- Pyrrolo[2,3-d] pyrimidin-2-amine

C7H8N4O (164.06980779999998)


   
   

4-Amino-2-methoxy-6-methylpyrimidine-5-carbonitrile

4-Amino-2-methoxy-6-methylpyrimidine-5-carbonitrile

C7H8N4O (164.06980779999998)


   
   

3-amino-8-methyl-2,4,9-triazabicyclo[4.3.0]nona-3,7,10-trien-5-one

3-amino-8-methyl-2,4,9-triazabicyclo[4.3.0]nona-3,7,10-trien-5-one

C7H8N4O (164.06980779999998)


   

(4-fluoro-1H-indol-2-yl)methanamine

(4-fluoro-1H-indol-2-yl)methanamine

C9H9FN2 (164.0749726)


   

7H-Pyrazolo[3,4-d]pyrimidine,4-methoxy-7-methyl-(9CI)

7H-Pyrazolo[3,4-d]pyrimidine,4-methoxy-7-methyl-(9CI)

C7H8N4O (164.06980779999998)


   

3-AMINOAZEPAN-2-ONE HYDROCHLORIDE

3-AMINOAZEPAN-2-ONE HYDROCHLORIDE

C6H13ClN2O (164.0716358)


   

2-Deoxy-alpha-D-galactopyranose

2-Deoxy-alpha-D-galactopyranose

C6H12O5 (164.06847019999998)


   

2-Deoxy-alpha-D-arabino-hexopyranose

2-Deoxy-alpha-D-arabino-hexopyranose

C6H12O5 (164.06847019999998)


   
   

alpha-L-rhamnofuranose

alpha-L-rhamnofuranose

C6H12O5 (164.06847019999998)


An L-rhamnofuranose having alpha-configuration at the anomeric centre.

   
   
   
   

methyl alpha-D-arabinopyranoside

methyl alpha-D-arabinopyranoside

C6H12O5 (164.06847019999998)


   

L-phenylalaninate

L-phenylalaninate

C9H10NO2- (164.07115000000002)


An optically active form of phenylalaninate having L-configuration.

   
   
   
   

beta-D-rhamnofuranose

beta-D-rhamnofuranose

C6H12O5 (164.06847019999998)


A D-rhamnofuranose having beta-configuration at the anomeric centre.

   

beta-D-Quinovofuranose

beta-D-Quinovofuranose

C6H12O5 (164.06847019999998)


A D-quinovose (6-deoxy-D-glucose) that is D-quinovofuranose in which the anomeric centre has beta configuration.

   
   
   
   

Methyl alpha-D-ribofuranoside

Methyl alpha-D-ribofuranoside

C6H12O5 (164.06847019999998)


   
   

CHEBI:27907

(2R,3R,4R,5R,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol

C6H12O5 (164.06847019999998)


   

Polygalytol

(2R,3S,4R,5S)-2-(hydroxymethyl)tetrahydropyran-3,4,5-triol

C6H12O5 (164.06847019999998)


1,5-Anhydrosorbitol is a short-term marker for glycemic control. 1,5-Anhydrosorbitol is a short-term marker for glycemic control.

   

L-Rha

(2R,3R,4S,5S)-2,3,4,5-Tetrahydroxyhexanal

C6H12O5 (164.06847019999998)


Rhamnose (L-Rhamnose) is a monosaccharide found in plants and bacteria. Rhamnose-conjugated immunogens is used in immunotherapies[1]. Rhamnose crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2]. Rhamnose (L-Rhamnose) is a monosaccharide found in plants and bacteria. Rhamnose-conjugated immunogens is used in immunotherapies[1]. Rhamnose crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2].

   

6-Deoxyglucose

6-DEOXY-D-GLUCOSE

C6H12O5 (164.06847019999998)


Rhamnose (L-Rhamnose) is a monosaccharide found in plants and bacteria. Rhamnose-conjugated immunogens is used in immunotherapies[1]. Rhamnose crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2]. Rhamnose (L-Rhamnose) is a monosaccharide found in plants and bacteria. Rhamnose-conjugated immunogens is used in immunotherapies[1]. Rhamnose crosses the epithelia via the transcellular pathway and acts as a marker of intestinal absorption[2].

   

(2S)-2-azaniumyl-4-(dimethylsulfaniumyl)butanoate

(2S)-2-azaniumyl-4-(dimethylsulfaniumyl)butanoate

C6H14NO2S+ (164.0745204)


D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D018977 - Micronutrients > D014815 - Vitamins

   
   
   

D-rhamnopyranose

D-rhamnopyranose

C6H12O5 (164.06847019999998)


The pyranose ring form of D-rhamnose.

   
   
   

beta-L-rhamnofuranose

beta-L-rhamnofuranose

C6H12O5 (164.06847019999998)


An L-rhamnofuranose having beta-configuration at the anomeric centre.

   
   
   
   
   

(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanal

(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanal

C6H12O5 (164.06847019999998)


   
   
   
   

(3R,4R,5S)-5-(1-hydroxyethyl)oxolane-2,3,4-triol

(3R,4R,5S)-5-(1-hydroxyethyl)oxolane-2,3,4-triol

C6H12O5 (164.06847019999998)


   

(E)-hex-5-ene-1,2,3,4,6-pentol

(E)-hex-5-ene-1,2,3,4,6-pentol

C6H12O5 (164.06847019999998)


   
   
   
   
   
   
   
   
   
   

alpha-d-Lyxofuranoside, methyl

alpha-d-Lyxofuranoside, methyl

C6H12O5 (164.06847019999998)


   
   
   

Phenylalaninate

Phenylalaninate

C9H10NO2- (164.07115000000002)


An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group.

   
   

d-Rhamnofuranose

d-Rhamnofuranose

C6H12O5 (164.06847019999998)


The furanose form of D-rhamnose.

   

D-phenylalaninate

D-phenylalaninate

C9H10NO2- (164.07115000000002)


The D-enantiomer of phenylalaninate.

   
   
   
   

alpha-D-rhamnofuranose

alpha-D-rhamnofuranose

C6H12O5 (164.06847019999998)


A D-rhamnofuranose having alpha-configuration at the anomeric centre.

   

tetraamminediaquanickel(II)

tetraamminediaquanickel(II)

H18N4NiO2+4 (164.0783158)


   
   

Methyldiisopropylchlorosilane

Methyldiisopropylchlorosilane

C7H17ClSi (164.0787992)


   
   

D-Fucopyranose

D-Fucopyranose

C6H12O5 (164.06847019999998)


D-(+)-Fucose is a nonmetabolizable analogue of l-arabinose. D-(+)-Fucose prevents growth of Escherichia coli B/r on a mineral salts medium plus l-arabinose by inhibiting induction of the l-arabinose operon[1]. D-fucose is a potent inducer of beta-methylgalactoside permease (MGP)[2].

   

D-Arabino-2-deoxyhexose

2-Deoxy-D-arabino-hexopyranose

C6H12O5 (164.06847019999998)


   

L-Rhamnulose

L-Rhamnulose

C6H12O5 (164.06847019999998)


A deoxyketohexose consisting of L-fructose lacking the 6-hydroxy group.

   
   

2-Deoxy-D-galactopyranose

2-Deoxy-D-galactopyranose

C6H12O5 (164.06847019999998)


A deoxygalactose that is D-galactopyranose in which the hydroxy group at position 2 has been replaced by a hydrogen.

   

L-Fuculose

L-Fuculose

C6H12O5 (164.06847019999998)


A a deoxyketohexose comprising L-tagatose with the hydroxy group at position 6 replaced by hydrogen.

   

L-rhamnofuranose

L-rhamnofuranose

C6H12O5 (164.06847019999998)


The furanose form of L-rhamnose.

   

aldehydo-D-rhamnose

aldehydo-D-rhamnose

C6H12O5 (164.06847019999998)


The open-chain aldehyde form of D-rhamnose.

   

Isopropyl N-butyl disulphide

Isopropyl N-butyl disulphide

C7H16S2 (164.0693376)


   
   

2-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

2-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

C6H12O5 (164.06847019999998)


   
   
   
   

beta-L-rhamnopyranose

beta-L-rhamnopyranose

C6H12O5 (164.06847019999998)


The beta-anomer of L-rhamnopyranose.

   

alpha-L-Rhamnopyranose

alpha-L-Rhamnopyranose

C6H12O5 (164.06847019999998)


An L-rhamnopyranose having alpha-configuration at the anomeric centre.

   

S-methyl-L-methionine zwitterion

S-methyl-L-methionine zwitterion

C6H14NO2S (164.0745204)


A sulfonium compound that is a tautomer of S-methyl-L-methionine, arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.

   
   

2-deoxy-D-glucopyranose

2-deoxy-D-glucopyranose

C6H12O5 (164.06847019999998)


A 2-deoxy-D-glucose that is D-glucopyranose in which the hydroxy group at position 2 has been replaced by a hydrogen.

   

aldehydo-L-rhamnose

aldehydo-L-rhamnose

C6H12O5 (164.06847019999998)


The acyclic form of L-rhamnose.

   

beta-D-quinovopyranose

beta-D-quinovopyranose

C6H12O5 (164.06847019999998)


The pyranose form of D-quinovose (6-deoxy-D-glucose) with beta-configuration at the anomeric position.

   

L-fucopyranose

L-fucopyranose

C6H12O5 (164.06847019999998)


The pyranose form of L-fucose.

   

L-Rhamnopyranose

L-Rhamnopyranose

C6H12O5 (164.06847019999998)


An L-rhamnose in cyclic pyranose form.

   

alpha-D-rhamnose

alpha-D-rhamnose

C6H12O5 (164.06847019999998)


A D-rhamnopyranose having alpha-configuration at its anomeric centre.

   
   
   
   
   
   
   
   
   

(2s,3r,4r,5r)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol

(2s,3r,4r,5r)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol

C6H12O5 (164.06847019999998)


   

(1s,2r,4s,5s)-cyclohexane-1,2,3,4,5-pentol

(1s,2r,4s,5s)-cyclohexane-1,2,3,4,5-pentol

C6H12O5 (164.06847019999998)


   

(2r,3r,4s,5s)-2-methoxyoxane-3,4,5-triol

(2r,3r,4s,5s)-2-methoxyoxane-3,4,5-triol

C6H12O5 (164.06847019999998)