Chemical Formula: C9H8O3

Chemical Formula C9H8O3

Found 140 metabolite its formula value is C9H8O3

4-Hydroxycinnamic acid

(E)-3-(4-hydroxyphenyl)prop-2-enoic acid

C9H8O3 (164.0473418)


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).

   

2-Hydroxycinnamic acid

(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid

C9H8O3 (164.0473418)


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

2-Oxo-3-phenylpropanoic acid (Mixture oxo and keto)

C9H8O3 (164.0473418)


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

trans-3-(m-Hydroxyphenyl)-2-propenoic acid

C9H8O3 (164.0473418)


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.

   

Caffeylaldehyde

3-(3,4-dihydroxyphenyl)prop-2-enal

C9H8O3 (164.0473418)


   

Enol-phenylpyruvate

(2Z)-2-hydroxy-3-phenylprop-2-enoic acid

C9H8O3 (164.0473418)


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.

   

Benzoylacetate

3-Oxo-3-phenylpropionic acid

C9H8O3 (164.0473418)


   

cis-p-Coumaric acid

(2Z)-3-(4-Hydroxyphenyl)-2-propenoic acid

C9H8O3 (164.0473418)


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

(2Z)-3-(2-hydroxyphenyl)prop-2-enoic acid

C9H8O3 (164.0473418)


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.

   

Methyl Phenylglyoxalate

alpha-Oxobenzeneacetic acid methyl ester

C9H8O3 (164.0473418)


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

   

METHYL 4-FORMYLBENZOATE

METHYL 4-formylbenzoic acid

C9H8O3 (164.0473418)


   

METHYL 4-FORMYLBENZOATE

METHYL 4-formylbenzoic acid

C9H8O3 (164.0473418)


   

4-hydroxycinnamic acid

trans-p-Hydroxycinnamic acid

C9H8O3 (164.0473418)


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

C9H8O3 (164.0473418)


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.

   

2,3-dihydro-1-benzofuran-2-carboxylic acid

2,3-dihydro-1-benzofuran-2-carboxylic acid

C9H8O3 (164.0473418)


   

7-Hydroxy-4-methyl-1(3H)-isobenzofuranone

7-Hydroxy-4-methyl-1(3H)-isobenzofuranone

C9H8O3 (164.0473418)


   

4-Acetoxybenzaldehyde

4-Acetoxybenzaldehyde

C9H8O3 (164.0473418)


   

5-Acetylsalicylaldehyde

5-Acetylsalicylaldehyde

C9H8O3 (164.0473418)


   

1,3-benzodioxol-5-ylacetaldehyde

1,3-benzodioxol-5-ylacetaldehyde

C9H8O3 (164.0473418)


   

3-(3-Hydroxyphenoxy)-2-propenal

3-(3-Hydroxyphenoxy)-2-propenal

C9H8O3 (164.0473418)


   

(2S,3S)-nona-4,6,8-triyne-1,2,3-triol|2D,3L-Nona-4,6,8-triin-1,2,3-triol

(2S,3S)-nona-4,6,8-triyne-1,2,3-triol|2D,3L-Nona-4,6,8-triin-1,2,3-triol

C9H8O3 (164.0473418)


   

4-acetyltropolone

4-acetyltropolone

C9H8O3 (164.0473418)


   

4-Methoxyisophthalaldehyde

4-Methoxyisophthalaldehyde

C9H8O3 (164.0473418)


   

2-Acetoxytropone

2-Acetoxytropone

C9H8O3 (164.0473418)


   

8-Hydroxyoct-trans-2-en-4,6-diinsaeuremethylester

8-Hydroxyoct-trans-2-en-4,6-diinsaeuremethylester

C9H8O3 (164.0473418)


   

METHYL 4-FORMYLBENZOATE

METHYL 4-FORMYLBENZOATE

C9H8O3 (164.0473418)


   

(Z)-9-Hydroxy-7-nonene-3,5-diynoic acid

(Z)-9-Hydroxy-7-nonene-3,5-diynoic acid

C9H8O3 (164.0473418)


   

2-(4-Methoxyphenyl)-2-oxoacetaldehyde

2-(4-Methoxyphenyl)-2-oxoacetaldehyde

C9H8O3 (164.0473418)


   

2-formylphenyl acetate

2-formylphenyl acetate

C9H8O3 (164.0473418)


   

3,4-Methylenedioxyacetophenone

3,4-(Methylenedioxy)acetophenone

C9H8O3 (164.0473418)


   

2,6-diformyl-4-methylphenol

2,6-diformyl-4-methylphenol

C9H8O3 (164.0473418)


   

3-Coumaric acid

3-Coumaric acid

C9H8O3 (164.0473418)


A monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring. CONFIDENCE standard compound; ML_ID 12

   

p-Coumaric acid

4-hydroxycinnamic acid

C9H8O3 (164.0473418)


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, predominantly trans

C9H8O3 (164.0473418)


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

4-hydroxycinnamic acid

C9H8O3 (164.0473418)


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-Hydroxycinnamic acid

C9H8O3 (164.0473418)


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

trans-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside]

C9H8O3 (164.0473418)


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

2-Oxo-3-phenylpropanoic acid

C9H8O3 (164.0473418)


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

3-Hydroxycinnamic acid

C9H8O3 (164.0473418)


(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.

   

trans-4-coumaric acid

trans-4-coumaric acid

C9H8O3 (164.0473418)


Annotation level-1

   

3-Hydroxycinnamic acid

3-Hydroxycinnamic acid

C9H8O3 (164.0473418)


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

4-hydroxycinnamic acid

C9H8O3 (164.0473418)


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 (isomer of 131)

Coumaric acid (isomer of 131)

C9H8O3 (164.0473418)


Annotation level-2

   

Coumaric acid (isomer of 127)

Coumaric acid (isomer of 127)

C9H8O3 (164.0473418)


Annotation level-3

   

Coumaric acid (isomer of 192, 194)

Coumaric acid (isomer of 192, 194)

C9H8O3 (164.0473418)


Annotation level-2

   

Coumaric acid (isomer of 189, 194)

Coumaric acid (isomer of 189, 194)

C9H8O3 (164.0473418)


Annotation level-3

   

Coumaric acid (isomer of 189, 192)

Coumaric acid (isomer of 189, 192)

C9H8O3 (164.0473418)


Annotation level-2

   

p-coumaric acid methyl ester geometric isomer (tentative, MSe)

p-coumaric acid methyl ester geometric isomer (tentative, MSe)

C9H8O3 (164.0473418)


   

7-hydroxychroman-4-one

7-hydroxychroman-4-one

C9H8O3 (164.0473418)


   

Carbic anhydride

3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione

C9H8O3 (164.0473418)


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

   

2-hydroxycinnamic acid_major

2-hydroxycinnamic acid_major

C9H8O3 (164.0473418)


   

4-coumarate

4-hydroxycinnamic acid

C9H8O3 (164.0473418)


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.

   

Phenylpyruvate

Phenylpyruvate

C9H8O3 (164.0473418)


   

3,4-(Methylenedioxy)acetophenone

3,4-(Methylenedioxy)acetophenone

C9H8O3 (164.0473418)


   

9-hydroxy-7E-Nonene-3,5-diynoic acid

9-hydroxy-7E-Nonene-3,5-diynoic acid

C9H8O3 (164.0473418)


   

9-hydroxy-7Z-Nonene-3,5-diynoic acid

9-hydroxy-7Z-Nonene-3,5-diynoic acid

C9H8O3 (164.0473418)


   

cis-P-Coumarate

(2Z)-3-(4-Hydroxyphenyl)prop-2-enoic acid

C9H8O3 (164.0473418)


   

FA 9:5;O

9-hydroxy-7Z-Nonene-3,5-diynoic acid

C9H8O3 (164.0473418)


   

2-Acetylbenzoic acid

2-Acetylbenzoic acid

C9H8O3 (164.0473418)


   

1,3-Benzodioxole-5-acetaldehyde

1,3-Benzodioxole-5-acetaldehyde

C9H8O3 (164.0473418)


   

(E)-3-(3-hydroxyphenyl)prop-2-enoic acid

(E)-3-(3-hydroxyphenyl)prop-2-enoic acid

C9H8O3 (164.0473418)


   

Benzeneacetaldehyde,4-methoxy-a-oxo-

Benzeneacetaldehyde,4-methoxy-a-oxo-

C9H8O3 (164.0473418)


   

3-acetoxybenzaldehyde

3-acetoxybenzaldehyde

C9H8O3 (164.0473418)


   

7-Hydroxy-2-chromanone

7-Hydroxy-2-chromanone

C9H8O3 (164.0473418)


   

5-Methoxyisophthalic acid

5-Methoxyisophthalic acid

C9H8O3 (164.0473418)


   

2-(4-formylphenyl)acetic acid

2-(4-formylphenyl)acetic acid

C9H8O3 (164.0473418)


   

6-(hydroxymethyl)-3H-2-benzofuran-1-one

6-(hydroxymethyl)-3H-2-benzofuran-1-one

C9H8O3 (164.0473418)


   

3-formyl-4-methylbenzoic acid

3-formyl-4-methylbenzoic acid

C9H8O3 (164.0473418)


   

Methyl 2-formylbenzoate

Methyl 2-formylbenzoate

C9H8O3 (164.0473418)


   

2,3-Dihydro-1-benzofuran-7-carboxylic acid

2,3-Dihydro-1-benzofuran-7-carboxylic acid

C9H8O3 (164.0473418)


   

5-Hydroxy-2,3-dihydro-4H-chromen-4-one

5-Hydroxy-2,3-dihydro-4H-chromen-4-one

C9H8O3 (164.0473418)


   

4-METHOXYBENZOFURAN-3(2H)-ONE

4-METHOXYBENZOFURAN-3(2H)-ONE

C9H8O3 (164.0473418)


   

1,5-benzodioxepin-3-one

1,5-benzodioxepin-3-one

C9H8O3 (164.0473418)


   

1(3H)-Isobenzofuranone,6-methoxy-

1(3H)-Isobenzofuranone,6-methoxy-

C9H8O3 (164.0473418)


   

2,3-DIHYDROBENZO[B][1,4]DIOXINE-2-CARBALDEHYDE

2,3-DIHYDROBENZO[B][1,4]DIOXINE-2-CARBALDEHYDE

C9H8O3 (164.0473418)


   

7-HYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE

7-HYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE

C9H8O3 (164.0473418)


   

2,3-DIHYDROBENZOFURAN-3-CARBOXYLIC ACID

2,3-DIHYDROBENZOFURAN-3-CARBOXYLIC ACID

C9H8O3 (164.0473418)


   

3-Acetylbenzoic acid

3-Acetylbenzoic acid

C9H8O3 (164.0473418)


   

2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBALDEHYDE

2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBALDEHYDE

C9H8O3 (164.0473418)


   

2,3-dihydro-1,4-benzodioxepin-5-one

2,3-dihydro-1,4-benzodioxepin-5-one

C9H8O3 (164.0473418)


   

2,3-Dihydrobenzofuran-6-carboxylic acid

2,3-Dihydrobenzofuran-6-carboxylic acid

C9H8O3 (164.0473418)


   

7-NITROBENZOFURAN-3(2H)-ONE

7-NITROBENZOFURAN-3(2H)-ONE

C9H8O3 (164.0473418)


   

5-METHOXY-BENZOFURAN-3-ONE

5-METHOXY-BENZOFURAN-3-ONE

C9H8O3 (164.0473418)


   

1,4-Benzodioxane-6-aldehyde

1,4-Benzodioxan-6-carboxaldehyde

C9H8O3 (164.0473418)


   

4-ethenyl-2-hydroxybenzoic acid

4-ethenyl-2-hydroxybenzoic acid

C9H8O3 (164.0473418)


   

(4-hydroxyphenyl) prop-2-enoate

(4-hydroxyphenyl) prop-2-enoate

C9H8O3 (164.0473418)


   

7-Methoxy-1-benzofuran-3(2H)-one

7-Methoxy-1-benzofuran-3(2H)-one

C9H8O3 (164.0473418)


   

6-HYDROXY-CHROMAN-4-ONE

6-HYDROXY-CHROMAN-4-ONE

C9H8O3 (164.0473418)


   

4-Acetylbenzoic acid

4-Acetylbenzoic acid

C9H8O3 (164.0473418)


   

2,3-Dihydrobenzofuran-4-carboxylic acid

2,3-Dihydrobenzofuran-4-carboxylic acid

C9H8O3 (164.0473418)


   

cis-5-Norbornene-exo-2,3-dicarboxylic anhydride

cis-5-Norbornene-exo-2,3-dicarboxylic anhydride

C9H8O3 (164.0473418)


   

2-(Allyloxy)-1,4-benzoquinone

2-(Allyloxy)-1,4-benzoquinone

C9H8O3 (164.0473418)


   

4-methylbenzoylformic acid

4-methylbenzoylformic acid

C9H8O3 (164.0473418)


   

Methyl 3-formylbenzoate

Methyl 3-formylbenzoate

C9H8O3 (164.0473418)


   

4-methoxyphthalaldehyde

4-methoxyphthalaldehyde

C9H8O3 (164.0473418)


   

2,3-Dihydro-1-benzofuran-5-carboxylic acid

2,3-Dihydro-1-benzofuran-5-carboxylic acid

C9H8O3 (164.0473418)


   

4-Formyl-3-Methylbenzoic acid

4-Formyl-3-Methylbenzoic acid

C9H8O3 (164.0473418)


   

2,4-Dihydroxy-cinnamaldehyde

2,4-Dihydroxy-cinnamaldehyde

C9H8O3 (164.0473418)


   

4-formyl-2-Methylbenzoic acid

4-formyl-2-Methylbenzoic acid

C9H8O3 (164.0473418)


   

8-hydroxy-2,3-dihydrochromen-4-one

8-hydroxy-2,3-dihydrochromen-4-one

C9H8O3 (164.0473418)


   

5-phenyl-1,3-dioxolan-4-one

5-phenyl-1,3-dioxolan-4-one

C9H8O3 (164.0473418)


   

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

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

C9H8O3 (164.0473418)


   

6-hydroxy-4-methyl-1-benzofuran-3-one

6-hydroxy-4-methyl-1-benzofuran-3-one

C9H8O3 (164.0473418)


   

3-methoxy-3H-isobenzofuran-1-one

3-methoxy-3H-isobenzofuran-1-one

C9H8O3 (164.0473418)


   

6-Methoxy-3-benzofuranone

6-Methoxy-3-benzofuranone

C9H8O3 (164.0473418)


   

5,6-Dihydroxy-2,3-dihydro-1H-inden-1-one

5,6-Dihydroxy-2,3-dihydro-1H-inden-1-one

C9H8O3 (164.0473418)


   

7-Methoxyphthalide

7-Methoxyphthalide

C9H8O3 (164.0473418)


   

5-methoxy-3H-2-benzofuran-1-one

5-methoxy-3H-2-benzofuran-1-one

C9H8O3 (164.0473418)


   

Caffeic aldehyde

Caffeic aldehyde

C9H8O3 (164.0473418)


   

2-Phenyloxirane-2-carboxylic acid

2-Phenyloxirane-2-carboxylic acid

C9H8O3 (164.0473418)


   

Hydroxycinnamic acid

Hydroxycinnamic acid

C9H8O3 (164.0473418)


The cis-stereoisomer of 3-coumaric acid.

   

3-Phenyloxirane-2-carboxylic acid

3-Phenyloxirane-2-carboxylic acid

C9H8O3 (164.0473418)


   

4-Methoxybenzofuran-6-ol

4-Methoxybenzofuran-6-ol

C9H8O3 (164.0473418)


   

CHEBI:17450

2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)- (9CI)

C9H8O3 (164.0473418)


   

Coumarate

InChI=1\C9H8O3\c10-8-4-1-7(2-5-8)3-6-9(11)12\h1-6,10H,(H,11,12)\b6-3

C9H8O3 (164.0473418)


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.

   

AI3-32389

InChI=1\C9H8O3\c10-8-3-1-2-7(6-8)4-5-9(11)12\h1-6,10H,(H,11,12)\b5-4

C9H8O3 (164.0473418)


(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.

   

Coumarinic acid

(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid

C9H8O3 (164.0473418)


   

156-06-9

Benzenepropanoic acid, .alpha.-oxo-

C9H8O3 (164.0473418)


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].

   

Acetic benzoic anhydride

Acetic benzoic anhydride

C9H8O3 (164.0473418)


   

3-(2,5-Dihydroxyphenyl)prop-2-enal

3-(2,5-Dihydroxyphenyl)prop-2-enal

C9H8O3 (164.0473418)


   

3-(4-Hydroxyphenyl)oxirane-2-carbaldehyde

3-(4-Hydroxyphenyl)oxirane-2-carbaldehyde

C9H8O3 (164.0473418)


   

3-(2-Hydroxyphenyl)oxirane-2-carbaldehyde

3-(2-Hydroxyphenyl)oxirane-2-carbaldehyde

C9H8O3 (164.0473418)


   

cis-p-Coumaric acid

cis-p-Coumaric acid

C9H8O3 (164.0473418)


The cis-form of 4-coumaric acid.

   

Phenyloxyl acetic acid

3-oxo-3-phenylpropanoic acid

C9H8O3 (164.0473418)


   

Methyl Phenylglyoxalate

Methyl Phenylglyoxalate

C9H8O3 (164.0473418)


The methyl ester of phenylglyoxylic acid with methanol. Metabolite observed in cancer metabolism.

   

Caffeylaldehyde

3,4-Dihydroxycinnamaldehyde

C9H8O3 (164.0473418)


A cinnamaldehyde that is (E)-cinnamaldehyde substituted at positions 3 and 4 on the phenyl ring by hydroxy groups.

   

2-Hydroxy-3-phenylprop-2-enoic acid

2-Hydroxy-3-phenylprop-2-enoic acid

C9H8O3 (164.0473418)


   

2-Coumaric acid

2-Coumaric acid

C9H8O3 (164.0473418)


A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring.

   

keto-Phenylpyruvic acid

keto-Phenylpyruvic acid

C9H8O3 (164.0473418)


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.

   

cis-2-coumaric acid

cis-2-coumaric acid

C9H8O3 (164.0473418)


The cis-isomer of 2-coumaric acid.

   

trans-3-coumaric acid

trans-3-coumaric acid

C9H8O3 (164.0473418)


A 3-coumaric acid that is phenol substituted with trans-2-propenoic acid at position C-3.

   

enol-Phenylpyruvic acid

enol-Phenylpyruvic acid

C9H8O3 (164.0473418)


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.

   

(2z)-3-(3,4-dihydroxyphenyl)prop-2-enal

(2z)-3-(3,4-dihydroxyphenyl)prop-2-enal

C9H8O3 (164.0473418)


   

1-(2h-1,3-benzodioxol-5-yl)ethanone

1-(2h-1,3-benzodioxol-5-yl)ethanone

C9H8O3 (164.0473418)


   

3-(3-hydroxyphenoxy)-2-propenal

NA

C9H8O3 (164.0473418)


{"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"}

   

4-methoxy-3h-2-benzofuran-1-one

4-methoxy-3h-2-benzofuran-1-one

C9H8O3 (164.0473418)


   

5-acetyl-2-hydroxybenzaldehyde

5-acetyl-2-hydroxybenzaldehyde

C9H8O3 (164.0473418)


   

nona-4,6,8-triyne-1,2,3-triol

nona-4,6,8-triyne-1,2,3-triol

C9H8O3 (164.0473418)


   

(2s,3r)-nona-4,6,8-triyne-1,2,3-triol

(2s,3r)-nona-4,6,8-triyne-1,2,3-triol

C9H8O3 (164.0473418)


   

6-acetyl-2-hydroxycyclohepta-2,4,6-trien-1-one

6-acetyl-2-hydroxycyclohepta-2,4,6-trien-1-one

C9H8O3 (164.0473418)