Exact Mass: 164.0507122
Exact Mass Matches: 164.0507122
Found 500 metabolites which its exact mass value is equals to given mass value 164.0507122,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
4-Hydroxycinnamic acid
4-Hydroxycinnamic acid, also known as p-Coumaric acid, is a coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. It has a role as a plant metabolite. It is a conjugate acid of a 4-coumarate. p-coumaric acid is an organic compound that is a hydroxy derivative of cinnamic acid. There are three isomers of coumaric acid: o-coumaric acid, m-coumaric acid, and p-coumaric acid, that differ by the position of the hydroxy substitution of the phenyl group. p-Coumaric acid is the most abundant isomer of the three in nature. p-Coumaric acid exists in two forms trans-p-coumaric acid and cis-p-coumaric acid. It is a crystalline solid that is slightly soluble in water, but very soluble in ethanol and diethyl ether. 4-Hydroxycinnamic acid belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. 4-Hydroxycinnamic acid exists in all living species, ranging from bacteria to humans. Outside of the human body, 4-Hydroxycinnamic acid is found, on average, in the highest concentration within a few different foods, such as pepper (Capsicum frutescens), pineapples, and sunflowers and in a lower concentration in spinachs, kiwis, and sweet oranges. 4-Hydroxycinnamic acid has also been detected, but not quantified in several different foods, such as wild rices, soursops, garden onions, hyssops, and avocado. 4-coumaric acid is a coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. It has a role as a plant metabolite. It is a conjugate acid of a 4-coumarate. 4-Hydroxycinnamic acid is a natural product found in Ficus septica, Visnea mocanera, and other organisms with data available. trans-4-Coumaric acid is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Black Cohosh (part of); Galium aparine whole (part of); Lycium barbarum fruit (part of) ... View More ... Coumaric acid is a hydroxycinnamic acid, an organic compound that is a hydroxy derivative of cinnamic acid. There are three isomers, o-coumaric acid, m-coumaric acid, and p-coumaric acid, that differ by the position of the hydroxy substitution of the phenyl group. p-Coumaric acid is the most abundant isomer of the three in nature. p-Coumaric acid is found in many foods, some of which are garden onion, turmeric, green bell pepper, and common thyme. D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants The trans-isomer of 4-coumaric acid. D000890 - Anti-Infective Agents Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 168 KEIO_ID C024 p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities. p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities. p-Hydroxycinnamic acid, a common dietary phenol, could inhibit platelet activity, with IC50s of 371 μM, 126 μM for thromboxane B2 production and lipopolysaccharide-induced prostaglandin E2 generation, respectively. p-Hydroxycinnamic acid, a common dietary phenol, could inhibit platelet activity, with IC50s of 371 μM, 126 μM for thromboxane B2 production and lipopolysaccharide-induced prostaglandin E2 generation, respectively. p-Coumaric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=7400-08-0 (retrieved 2024-09-04) (CAS RN: 7400-08-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Ricinine
Ricinine belongs to the family of Alkyl Aryl Ethers. These are organic compounds containing the alkyl aryl ether functional group with formula R-O-R , where R is an alkyl group and R is an aryl group. Ricinine is a pyridine alkaloid, a pyridone and a nitrile. Ricinine is a natural product found in Ricinus communis with data available.
2-Hydroxycinnamic acid
2-coumaric acid, also known as o-coumaric acid, is a monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring. It has a role as a plant metabolite. It is a conjugate acid of a 2-coumarate. It is a hydroxycinnamic acid, an organic compound that is a hydroxy derivative of cinnamic acid. There are three isomers of coumaric acids: o-coumaric acid, m-coumaric acid, and p-coumaric acid, that differ by the position of the hydroxy substitution of the phenyl group. 2-Hydroxycinnamic acid belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. 2-Hydroxycinnamic acid exists in all living organisms, ranging from bacteria to humans. 2-Hydroxycinnamic acid has been found in a few different foods, such as corns, hard wheats, and olives and in a lower concentration in pomegranates, american cranberries, and peanuts. 2-Hydroxycinnamic acid has also been detected, but not quantified in several different foods, such as carrots, soy beans, ryes, rye bread, and turmerics. Coumaric acid is a hydroxycinnamic acid, an organic compound that is a hydroxy derivative of cinnamic acid. There are three isomers, o-coumaric acid, m-coumaric acid, and p-coumaric acid, that differ by the position of the hydroxy substitution of the phenyl group. p-Coumaric acid is the most abundant isomer of the three in nature. o-Coumaric acid is found in many foods, some of which are common wheat, date, bilberry, and corn. 2-coumaric acid is a monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring. It has a role as a plant metabolite. It is a conjugate acid of a 2-coumarate. 2-Hydroxycinnamic acid is a natural product found in Mikania glomerata, Coffea arabica, and other organisms with data available. See also: Ipomoea aquatica leaf (part of). The trans-isomer of 2-coumaric acid. o-Coumaric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=583-17-5 (retrieved 2024-07-01) (CAS RN: 583-17-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Phenylpyruvate
Phenylpyruvic acid is a keto-acid that is an intermediate or catabolic byproduct of phenylalanine metabolism. It has a slight honey-like odor. Levels of phenylpyruvate are normally very low in blood or urine. High levels of phenylpyruvic acid can be found in the urine of individuals with phenylketonuria (PKU), an inborn error of metabolism. PKU is due to lack of the enzyme phenylalanine hydroxylase (PAH), so that phenylalanine is converted not to tyrosine but to phenylpyruvic acid. In particular, excessive phenylalanine can be metabolized into phenylketones through, a transaminase pathway route involving glutamate. Metabolites of this transamination reaction include phenylacetate, phenylpyruvate and phenethylamine. In persons with PKU, dietary phenylalanine either accumulates in the body or some of it is converted to phenylpyruvic acid. Individuals with PKU tend to excrete large quantities of phenylpyruvate, phenylacetate and phenyllactate, along with phenylalanine, in their urine. If untreated, mental retardation effects and microcephaly are evident by the first year along with other symptoms which include: unusual irritability, epileptic seizures and skin lesions. Hyperactivity, EEG abnormalities and seizures, and severe learning disabilities are major clinical problems later in life. A "musty or mousy" odor of skin, hair, sweat and urine (due to phenylacetate accumulation); and a tendency to hypopigmentation and eczema are also observed. The neural-development effects of PKU are primarily due to the disruption of neurotransmitter synthesis. In particular, phenylalanine is a large, neutral amino acid which moves across the blood-brain barrier (BBB) via the large neutral amino acid transporter (LNAAT). Excessive phenylalanine in the blood saturates the transporter. Thus, excessive levels of phenylalanine significantly decrease the levels of other LNAAs in the brain. But since these amino acids are required for protein and neurotransmitter synthesis, phenylalanine accumulation disrupts brain development, leading to mental retardation. Phenylpyruvic acid is also a microbial metabolite, it can be produced by Lactobacillus plantarum (PMID: 9687465). Flavouring ingredient Phenylpyruvic acid is used in the synthesis of 3-phenyllactic acid (PLA) by lactate dehydrogenase[1]. Phenylpyruvic acid is used in the synthesis of 3-phenyllactic acid (PLA) by lactate dehydrogenase[1].
M-Coumaric acid
m-Coumaric acid, also known as 3-coumarate, belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. m-Coumaric acid exists in all living organisms, ranging from bacteria to humans. m-Coumaric acid (CAS: 588-30-7) is a polyphenol metabolite from caffeic acid, formed by the gut microflora. Outside of the human body, m-Coumaric acid is found, on average, in the highest concentration within a few different foods, such as olives, corns, and beers. m-Coumaric acid has also been detected, but not quantified in several different foods, such as carrots, strawberries, grape wines, garden tomato, and bilberries. MCT-mediated absorption of phenolic compounds per se and their colonic metabolites would exert a significant impact on human health (PMID:16870009, 15479001, 15479001). m-Coumaric acid is transported by the monocarboxylic acid transporter (MCT). The amount of this compound in human biofluids is diet-dependant. m-Coumaric acid is detected after the consumption of whole grain. Coumaric acid is a hydroxycinnamic acid, an organic compound that is a hydroxy derivative of cinnamic acid. There are three isomers, o-coumaric acid, m-coumaric acid, and p-coumaric acid, that differ by the position of the hydroxy substitution of the phenyl group. p-Coumaric acid is the most abundant isomer of the three in nature. m-Coumaric acid is found in many foods, some of which are corn, garden tomato (variety), grape wine, and beer. Acquisition and generation of the data is financially supported in part by CREST/JST. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an aromatic acid that highly abundant in food. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an antioxidant. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an aromatic acid that highly abundant in food. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an antioxidant. m-Coumaric acid is a polyphenol metabolite from caffeic acid, formed by the gut microflora and the amount in human biofluids is diet-dependant. m-Coumaric acid is a polyphenol metabolite from caffeic acid, formed by the gut microflora and the amount in human biofluids is diet-dependant.
Lumazine
Lumazine, also known as pteridine-2,4-dione or 2,4(3h,8h)-pteridinedione, belongs to pteridines and derivatives class of compounds. Those are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. Lumazine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Lumazine can be found in soy bean, which makes lumazine a potential biomarker for the consumption of this food product. KEIO_ID L024 Pteridine-2,4(1H,3H)-dione is an endogenous metabolite.
Enol-phenylpyruvate
Enol-phenylpyruvate is reversibly produced from keto-phenylpyruvate, a reaction catalyzed by phenylpyruvate tautomerase [EC:5.3.2.1]. Phenylpyruvate tautomerase, also known as macrophage migration inhibitory factor (glycosylation-inhibiting factor), is involved in the tyrosine and phenylalanine metabolism pathways. [HMDB]. Enol-phenylpyruvate is found in many foods, some of which are oil-seed camellia, white cabbage, epazote, and dandelion. Enol-phenylpyruvate is reversibly produced from keto-phenylpyruvate, a reaction catalyzed by phenylpyruvate tautomerase [EC:5.3.2.1]. Phenylpyruvate tautomerase, also known as macrophage migration inhibitory factor (glycosylation-inhibiting factor), is involved in the tyrosine and phenylalanine metabolism pathways. Enol-phenylpyruvate has been found to be a microbial metabolite.
cis-p-Coumaric acid
cis-p-Coumaric acid, also known as cis-4-hydroxycinnamic acid, is a hydroxy derivative of cinnamic acid. Cinnamic acid and its derivatives are used as important components in flavours, perfumes, synthetic indigo, and pharmaceuticals. There are three isomers of coumaric acid: o-coumaric acid, m-coumaric acid, and p-coumaric acid. These isomers differ by the position of the hydroxy substitution. p-Coumaric acid is the most abundant isomer in nature (Wikipedia). cis-p-Coumaric acid is found in coriander. Coumaric acid is a hydroxycinnamic acid, an organic compound that is a hydroxy derivative of cinnamic acid. There are three isomers, o-coumaric acid, m-coumaric acid, and p-coumaric acid, that differ by the position of the hydroxy substitution of the phenyl group. p-Coumaric acid is the most abundant isomer of the three in nature. cis-p-Coumaric acid is found in coriander.
Coumarinic acid
Coumarinic acid, also known as cis-o-coumaric acid or cis-o-hydroxycinnamic acid, is a hydroxy derivative of cinnamic acid. Cinnamic acid and its derivatives are used as important components in flavours, perfumes, synthetic indigo, and pharmaceuticals. There are three isomers of coumaric acid: o-coumaric acid, m-coumaric acid, and p-coumaric acid. These isomers differ by the position of the hydroxy substitution. p-Coumaric acid is the most abundant isomer in nature (Wikipedia). Coumarinic acid is found in pomegranate. Coumaric acid is a hydroxycinnamic acid, an organic compound that is a hydroxy derivative of cinnamic acid. There are three isomers, o-coumaric acid, m-coumaric acid, and p-coumaric acid, that differ by the position of the hydroxy substitution of the phenyl group. p-Coumaric acid is the most abundant isomer of the three in nature. Coumarinic acid is found in pomegranate.
4-Thialysine
S-Aminoethyl-L-cysteine, also known as thialysine, is a toxic analog of the amino acid lysine in which the second carbon of the amino acids R-group (side chain) has been replaced with a sulfur atom. 4-thialysine is a substrate of lysine 2,3-aminomutase. D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors
R-1-Propenyl 1-propanesulfinothioate
R-1-Propenyl 1-propanesulfinothioate is found in onion-family vegetables. R-1-Propenyl 1-propanesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies S-1-Propenyl 1-propanesulfinothioate is found in onion-family vegetables.
(E)-1,11-Tridecadiene-3,5,7,9-tetrayne
(Z)-1,11-Tridecadiene-3,5,7,9-tetrayne is found in fats and oils. (Z)-1,11-Tridecadiene-3,5,7,9-tetrayne is isolated from Carthamus tinctorius (safflower). Isolated from Carthamus tinctorius (safflower). (Z)-1,11-Tridecadiene-3,5,7,9-tetrayne is found in safflower, fats and oils, and herbs and spices.
(Z)-1,3-Tridecadiene-5,7,9,11-tetrayne
(z)-1,3-tridecadiene-5,7,9,11-tetrayne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group (z)-1,3-tridecadiene-5,7,9,11-tetrayne can be found in fats and oils and herbs and spices, which makes (z)-1,3-tridecadiene-5,7,9,11-tetrayne a potential biomarker for the consumption of these food products. (Z)-1,3-Tridecadiene-5,7,9,11-tetrayne is found in fats and oils. (Z)-1,3-Tridecadiene-5,7,9,11-tetrayne is isolated from safflower (Carthamus tinctorius).
Methyl Phenylglyoxalate
Methyl Phenylglyoxalate, also known as a-Oxobenzeneacetate methyl ester or Benzoylformic acid methyl ester, is classified as a benzoyl derivative or a Benzoyl derivative derivative. Benzoyl derivatives are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). Methyl Phenylglyoxalate is considered to be practically insoluble (in water) and basic
S-2-Propenyl 1-propanesulfinothioate
S-2-Propenyl 1-propanesulfinothioate is found in onion-family vegetables. S-2-Propenyl 1-propanesulfinothioate is a constituent of garlic (Allium sativum) and wild leek (Allium tricoccum). Constituent of garlic (Allium sativum) and wild leek (Allium tricoccum). S-2-Propenyl 1-propanesulfinothioate is found in garlic and onion-family vegetables.
R-Propyl 1-propenesulfinothioate
R-Propyl 1-propenesulfinothioate is found in onion-family vegetables. R-Propyl 1-propenesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies S-Propyl 1-propenesulfinothioate is found in onion-family vegetables.
S-(2-Aminoethyl)-L-cysteine
S-(2-Aminoethyl)-L-cysteine is found in mushrooms. S-(2-Aminoethyl)-L-cysteine is isolated from the edible mushroom Rozites caperta. Isolated from the edible mushroom Rozites caperta. S-(2-Aminoethyl)-L-cysteine is found in mushrooms.
S-Propyl 2-propene-1-sulfinothioate
S-Propyl 2-propene-1-sulfinothioate is found in onion-family vegetables. S-Propyl 2-propene-1-sulfinothioate is a constituent of Allium sativum (garlic). Constituent of Allium sativum (garlic). S-Propyl 2-propene-1-sulfinothioate is found in garlic and onion-family vegetables.
Trideca-1,11-dien-3,5,7,9-tetrayn
Trideca-1,11-dien-3,5,7,9-tetrayn is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. Trideca-1,11-dien-3,5,7,9-tetrayn can be found in burdock, which makes trideca-1,11-dien-3,5,7,9-tetrayn a potential biomarker for the consumption of this food product.
4-hydroxycinnamic acid
Annotation level-1 p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities. p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities.
Coumaric acid
p-Hydroxycinnamic acid, a common dietary phenol, could inhibit platelet activity, with IC50s of 371 μM, 126 μM for thromboxane B2 production and lipopolysaccharide-induced prostaglandin E2 generation, respectively. p-Hydroxycinnamic acid, a common dietary phenol, could inhibit platelet activity, with IC50s of 371 μM, 126 μM for thromboxane B2 production and lipopolysaccharide-induced prostaglandin E2 generation, respectively.
1,12-Tridecadiene-3,5,7,9-tetrayne|trideca-1,12-diene-3,5,7,9-tetrayne
(2S,3S)-nona-4,6,8-triyne-1,2,3-triol|2D,3L-Nona-4,6,8-triin-1,2,3-triol
(3-methylsulfanyl-propyl)-thiourea
C5H12N2S2 (164.04418719999998)
3-Coumaric acid
A monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring. CONFIDENCE standard compound; ML_ID 12
L-thialysine
A cysteine derivative that is the S-(2-aminoethyl) analogue of L-cysteine; reported to have cytotoxic effects. CONFIDENCE standard compound; ML_ID 48
Ricinine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.377 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.369
p-Coumaric acid
p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities. p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities. p-Hydroxycinnamic acid, a common dietary phenol, could inhibit platelet activity, with IC50s of 371 μM, 126 μM for thromboxane B2 production and lipopolysaccharide-induced prostaglandin E2 generation, respectively. p-Hydroxycinnamic acid, a common dietary phenol, could inhibit platelet activity, with IC50s of 371 μM, 126 μM for thromboxane B2 production and lipopolysaccharide-induced prostaglandin E2 generation, respectively.
2-Hydroxycinnamic acid
2-Hydroxycinnamic acid is isolated from the methanol extract of Cinnamomum cassia. 2-Hydroxycinnamic acid shows inhibitory effects on infection of HIV/SARS-CoV S pseudovirus with an IC50 of 0.3 mM[2] 2-Hydroxycinnamic acid is isolated from the methanol extract of Cinnamomum cassia. 2-Hydroxycinnamic acid shows inhibitory effects on infection of HIV/SARS-CoV S pseudovirus with an IC50 of 0.3 mM[2]
4-coumaric acid
A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities. p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities.
m-Hydroxycinnamic acid
m-Coumaric acid is a polyphenol metabolite from caffeic acid, formed by the gut microflora and the amount in human biofluids is diet-dependant. m-Coumaric acid is a polyphenol metabolite from caffeic acid, formed by the gut microflora and the amount in human biofluids is diet-dependant.
p-hydroxycinnamic acid
Constituent of Salvia officinalis (sage). trans-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside] is found in tea and herbs and spices. Glycoside from seeds of Linum usitatissimum (flax). Methyl trans-p-coumarate 4-glucoside is found in many foods, some of which are tea, flaxseed, coffee and coffee products, and fats and oils. p-Hydroxycinnamic acid, a common dietary phenol, could inhibit platelet activity, with IC50s of 371 μM, 126 μM for thromboxane B2 production and lipopolysaccharide-induced prostaglandin E2 generation, respectively. p-Hydroxycinnamic acid, a common dietary phenol, could inhibit platelet activity, with IC50s of 371 μM, 126 μM for thromboxane B2 production and lipopolysaccharide-induced prostaglandin E2 generation, respectively.
Phenylpyruvic acid
Phenylpyruvic acid is used in the synthesis of 3-phenyllactic acid (PLA) by lactate dehydrogenase[1]. Phenylpyruvic acid is used in the synthesis of 3-phenyllactic acid (PLA) by lactate dehydrogenase[1].
m-Coumaric acid
(E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an aromatic acid that highly abundant in food. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an antioxidant. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an aromatic acid that highly abundant in food. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an antioxidant.
3-Hydroxycinnamic acid
Annotation level-1 (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an aromatic acid that highly abundant in food. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an antioxidant. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an aromatic acid that highly abundant in food. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an antioxidant. m-Coumaric acid is a polyphenol metabolite from caffeic acid, formed by the gut microflora and the amount in human biofluids is diet-dependant. m-Coumaric acid is a polyphenol metabolite from caffeic acid, formed by the gut microflora and the amount in human biofluids is diet-dependant.
p-courmaric acid
p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities. p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities.
Allicin + 2H (not validated, isomer of 328)
Annotation level-3
Allicin + 2H (not validated, isomer of 327)
Annotation level-3
p-coumaric acid methyl ester geometric isomer (tentative, MSe)
Carbic anhydride
CONFIDENCE standard compound; INTERNAL_ID 1220; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9041; ORIGINAL_PRECURSOR_SCAN_NO 9038 CONFIDENCE standard compound; INTERNAL_ID 1220; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9036; ORIGINAL_PRECURSOR_SCAN_NO 9034 CONFIDENCE standard compound; INTERNAL_ID 1220; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9053; ORIGINAL_PRECURSOR_SCAN_NO 9050 CONFIDENCE standard compound; INTERNAL_ID 1220; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9064; ORIGINAL_PRECURSOR_SCAN_NO 9061 CONFIDENCE standard compound; INTERNAL_ID 1220; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9069; ORIGINAL_PRECURSOR_SCAN_NO 9065 CONFIDENCE standard compound; INTERNAL_ID 1220; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9087; ORIGINAL_PRECURSOR_SCAN_NO 9085
4-coumarate
p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities. p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities.
Thiosine
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors
Pyrrole-2-carboxylic acid, 5-cyano-3-methyl-, methyl ester (8CI)
[1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid
1H-Inden-1-one,2-fluoro-2,3-dihydro-2-methyl-(9CI)
Acetic acid, 2-chloro-,3-methylbutyl ester
C7H13ClO2 (164.06040280000002)
(3R,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
1H-Indene-1-carboxaldehyde,5-fluoro-2,3-dihydro-,(1R)-(9CI)
1H-Pyrrole-2-carboxylicacid,3-cyano-5-methyl-,methylester(9CI)
4H-Cyclopenta[b]thiophene-3-carbonitrile,2-amino-5,6-dihydro-
2-chloro-N-(ethylcarbamoyl)acetamide
C5H9ClN2O2 (164.03525240000002)
3-HYDRAZINO-5-METHYL-4H-1,2,4-TRIAZOL-4-YLAMINE HYDROCHLORIDE
[1,2,4]triazolo[4,3-b]pyridazine-6-carboxylic acid
ethyl (2-chloroethylidene)carbazate
C5H9ClN2O2 (164.03525240000002)
3-Amino-2,6-piperidinedione hydrochloride
C5H9ClN2O2 (164.03525240000002)
5H-Pyrrolo[1,2-c]imidazole-3-carboxylicacid,methylester(9CI)
Ammonium 1-pyrrolidinedithiocarbamate
C5H12N2S2 (164.04418719999998)
ethyl 3,3-difluorocyclobutane-1-carboxylate
C7H10F2O2 (164.06488240000002)
1H-Indene-1-carboxaldehyde,5-fluoro-2,3-dihydro-(9CI)
6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
4-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
Pyrrole-2-carboxylic acid, 3-cyano-4,5-dimethyl- (8CI)
ethyl 3-chloro-2,2-dimethylpropanoate
C7H13ClO2 (164.06040280000002)
5-CHLORO-2-PENTANONE ETHYLENE KETAL
C7H13ClO2 (164.06040280000002)
4-AMINO-6-METHYL-4,5-DIHYDRO-1,2,4-TRIAZIN-3(2H)-ONE HYDROCHLORIDE
(R)-4-Chloropentanoic acid ethyl ester
C7H13ClO2 (164.06040280000002)
3,4-DIMETHYL-1,6-DIHYDROPYRANO[2,3-C]PYRAZOL-6-ONE
Butanoic acid, 2-amino-4-(S-methylsulfinimidoyl)- (9CI)
chlorocarbonic acid-(1-methyl-pentyl ester)
C7H13ClO2 (164.06040280000002)
4,4-Difluorocyclohexanecarboxylic acid
C7H10F2O2 (164.06488240000002)
1H-Imidazole,1,5-dimethyl-4-(trifluoromethyl)-(9CI)
2H-Pyran,2-(2-chloroethoxy)tetrahydro-
C7H13ClO2 (164.06040280000002)
alpha-L-rhamnofuranose
An L-rhamnofuranose having alpha-configuration at the anomeric centre.
1,11-Tridecadiene-3,5,7,9-tetrayne
(e)-1,11-tridecadiene-3,5,7,9-tetrayne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group (e)-1,11-tridecadiene-3,5,7,9-tetrayne can be found in fats and oils, herbs and spices, and safflower, which makes (e)-1,11-tridecadiene-3,5,7,9-tetrayne a potential biomarker for the consumption of these food products.
beta-D-rhamnofuranose
A D-rhamnofuranose having beta-configuration at the anomeric centre.
beta-D-Quinovofuranose
A D-quinovose (6-deoxy-D-glucose) that is D-quinovofuranose in which the anomeric centre has beta configuration.
Coumarate
D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants D000890 - Anti-Infective Agents p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities. p-Coumaric acid is the abundant isomer of cinnamic acid which has antitumor and anti-mutagenic activities. p-Hydroxycinnamic acid, a common dietary phenol, could inhibit platelet activity, with IC50s of 371 μM, 126 μM for thromboxane B2 production and lipopolysaccharide-induced prostaglandin E2 generation, respectively. p-Hydroxycinnamic acid, a common dietary phenol, could inhibit platelet activity, with IC50s of 371 μM, 126 μM for thromboxane B2 production and lipopolysaccharide-induced prostaglandin E2 generation, respectively.
Polygalytol
1,5-Anhydrosorbitol is a short-term marker for glycemic control. 1,5-Anhydrosorbitol is a short-term marker for glycemic control.
AI3-32389
(E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an aromatic acid that highly abundant in food. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an antioxidant. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an aromatic acid that highly abundant in food. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an antioxidant. m-Coumaric acid is a polyphenol metabolite from caffeic acid, formed by the gut microflora and the amount in human biofluids is diet-dependant. m-Coumaric acid is a polyphenol metabolite from caffeic acid, formed by the gut microflora and the amount in human biofluids is diet-dependant.
L-Rha
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].
156-06-9
Phenylpyruvic acid is used in the synthesis of 3-phenyllactic acid (PLA) by lactate dehydrogenase[1]. Phenylpyruvic acid is used in the synthesis of 3-phenyllactic acid (PLA) by lactate dehydrogenase[1].
6-Deoxyglucose
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].
N-Formylanthranilate
An amidobenzoate consisting of anthranilate carrying an N-formyl group.
2-Aminophenylglyoxylate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-aminophenylglyoxylic acid, obtained by deprotonation of the carboxy group.
beta-L-rhamnofuranose
An L-rhamnofuranose having beta-configuration at the anomeric centre.
alpha-D-rhamnofuranose
A D-rhamnofuranose having alpha-configuration at the anomeric centre.
3-Chloro-4,4-dimethoxy-2-methyl-1-butene
C7H13ClO2 (164.06040280000002)
1-Chloro-3-trimethylsilyl-2-propanone
C6H13ClOSi (164.04241580000001)
D-Fucopyranose
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].
Methyl Phenylglyoxalate
The methyl ester of phenylglyoxylic acid with methanol. Metabolite observed in cancer metabolism.
Caffeylaldehyde
A cinnamaldehyde that is (E)-cinnamaldehyde substituted at positions 3 and 4 on the phenyl ring by hydroxy groups.
S-Aminoethyl-L-cysteine
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors
2-Coumaric acid
A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring.
keto-Phenylpyruvic acid
A 2-oxo monocarboxylic acid that is 3-phenylpropanoic acid substituted by an oxo group at position 2. It is an intermediate metabolite in the phenylalanine pathway.
trans-3-coumaric acid
A 3-coumaric acid that is phenol substituted with trans-2-propenoic acid at position C-3.
enol-Phenylpyruvic acid
A 2-hydroxy monocarboxylic acid that is the enol-form of phenylpyruvic acid, consisting of acrylic acid having a hydroxy substituent at the 2-position and a phenyl group at the 3-position.
1,11 e-tridecadiene-3,5,7,9-tetrayne
{"Ingredient_id": "HBIN000295","Ingredient_name": "1,11 e-tridecadiene-3,5,7,9-tetrayne","Alias": "NA","Ingredient_formula": "C13H8","Ingredient_Smile": "CC=CC#CC#CC#CC#CC=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21590","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-(3-hydroxyphenoxy)-2-propenal
{"Ingredient_id": "HBIN007199","Ingredient_name": "3-(3-hydroxyphenoxy)-2-propenal","Alias": "NA","Ingredient_formula": "C9H8O3","Ingredient_Smile": "NA","Ingredient_weight": "164.16","OB_score": "NA","CAS_id": "146099-71-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8489","PubChem_id": "NA","DrugBank_id": "NA"}
(1e)-1-{[(r)-propane-1-sulfinyl]sulfanyl}prop-1-ene
n-[3-(methylsulfanyl)propyl]carbamimidothioic acid
C5H12N2S2 (164.04418719999998)