Exact Mass: 164.0424

Exact Mass Matches: 164.0424

Found 500 metabolites which its exact mass value is equals to given mass value 164.0424, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

4-Hydroxycinnamic acid

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

C9H8O3 (164.0473)


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

3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-1-methyl-2-oxo-

C8H8N2O2 (164.0586)


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

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

C9H8O3 (164.0473)


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 (164.0473)


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 (164.0473)


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

2,3,4,8-tetrahydropteridine-2,4-dione

C6H4N4O2 (164.0334)


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.

   

Caffeylaldehyde

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

C9H8O3 (164.0473)


   

Enol-phenylpyruvate

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

C9H8O3 (164.0473)


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.

   

epoxy pentulose

(3S,4R)-3,4,5-trihydroxy-2-keto-valeric acid

C5H8O6 (164.0321)


   

Benzoylacetate

3-Oxo-3-phenylpropionic acid

C9H8O3 (164.0473)


   

Phenylheptatriyne

Phenylheptatriyne; 1-Phenylhepta-1,3,5-triyne

C13H8 (164.0626)


   

cis-p-Coumaric acid

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

C9H8O3 (164.0473)


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 (164.0473)


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.

   

3-oxo-D-isoapionate

3-oxo-D-isoapionate

C5H8O6 (164.0321)


   

Methylmercaptobenzimidazole

2H-Benzimidazole-2-thione, 1,3-dihydro-4-methyl-

C8H8N2S (164.0408)


   

4-Thialysine

(2R)-2-amino-3-[(2-aminoethyl)sulfanyl]propanoic acid

C5H12N2O2S (164.0619)


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

(1Z)-1-[(Propane-1-sulphinyl)sulphanyl]prop-1-ene

C6H12OS2 (164.033)


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

(11Z)-trideca-1,11-dien-3,5,7,9-tetrayne

C13H8 (164.0626)


(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

(3E)-trideca-1,3-dien-5,7,9,11-tetrayne

C13H8 (164.0626)


(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

alpha-Oxobenzeneacetic acid methyl ester

C9H8O3 (164.0473)


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

3-[(Propane-1-sulphinyl)sulphanyl]prop-1-ene

C6H12OS2 (164.033)


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

1-{[(1Z)-prop-1-ene-1-sulphinyl]sulphanyl}propane

C6H12OS2 (164.033)


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

2-Amino-3-[(2-aminoethyl)sulphanyl]propanoic acid

C5H12N2O2S (164.0619)


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

1-[(Prop-2-ene-1-sulphinyl)sulphanyl]propane

C6H12OS2 (164.033)


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.

   

(2S)-2,5-Diamino-4-fluoro-5-oxopentanoic acid

(2S)-2,5-Diamino-4-fluoro-5-oxopentanoic acid

C5H9FN2O3 (164.0597)


   

2H-Benzimidazole-2-thione, 1,3-dihydro-4-methyl-

2H-Benzimidazole-2-thione, 1,3-dihydro-4-methyl-

C8H8N2S (164.0408)


   

Benzoylurea

Benzamide,N-(aminocarbonyl)-

C8H8N2O2 (164.0586)


   

Fluoronaphthyridone

3-fluoro-1,2-dihydro-1,8-naphthyridin-2-one

C8H5FN2O (164.0386)


   

Isophthalamide

benzene-1,3-dicarboxamide

C8H8N2O2 (164.0586)


   

METHYL 4-FORMYLBENZOATE

METHYL 4-formylbenzoic acid

C9H8O3 (164.0473)


   

S-Nitrosohomocysteine

2-Amino-4-(nitrososulphanyl)butanoic acid

C4H8N2O3S (164.0256)


   

Trideca-1,11-dien-3,5,7,9-tetrayn

trideca-1,11-dien-3,5,7,9-tetrayne

C13H8 (164.0626)


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.

   
   

METHYL 4-FORMYLBENZOATE

METHYL 4-formylbenzoic acid

C9H8O3 (164.0473)


   

4-hydroxycinnamic acid

trans-p-Hydroxycinnamic acid

C9H8O3 (164.0473)


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 (164.0473)


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.

   

5-Nitroindoline

5-Nitroindoline

C8H8N2O2 (164.0586)


   

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

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

C9H8O3 (164.0473)


   

3-{[(2-furylmethylidene)amino]oxy}propanenitrile

3-{[(2-furylmethylidene)amino]oxy}propanenitrile

C8H8N2O2 (164.0586)


   

methyl 5-chloro-5-oxopentanoate

methyl 5-chloro-5-oxopentanoate

C6H9ClO3 (164.024)


   

penturonic acid

penturonic acid

C5H8O6 (164.0321)


   

4-(Methylnitrosoamino)benzaldehyde

4-(Methylnitrosoamino)benzaldehyde

C8H8N2O2 (164.0586)


   

1,12-Tridecadiene-3,5,7,9-tetrayne|trideca-1,12-diene-3,5,7,9-tetrayne

1,12-Tridecadiene-3,5,7,9-tetrayne|trideca-1,12-diene-3,5,7,9-tetrayne

C13H8 (164.0626)


   

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

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

C9H8O3 (164.0473)


   

4-Acetoxybenzaldehyde

4-Acetoxybenzaldehyde

C9H8O3 (164.0473)


   

5-Acetylsalicylaldehyde

5-Acetylsalicylaldehyde

C9H8O3 (164.0473)


   

pentofuranuronic acid

pentofuranuronic acid

C5H8O6 (164.0321)


   

Dimethyl dihydroxypropanedioate

Dimethyl dihydroxypropanedioate

C5H8O6 (164.0321)


   

1,3-benzodioxol-5-ylacetaldehyde

1,3-benzodioxol-5-ylacetaldehyde

C9H8O3 (164.0473)


   

3-(3-Hydroxyphenoxy)-2-propenal

3-(3-Hydroxyphenoxy)-2-propenal

C9H8O3 (164.0473)


   

(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 (164.0473)


   

(3-methylsulfanyl-propyl)-thiourea

(3-methylsulfanyl-propyl)-thiourea

C5H12N2S2 (164.0442)


   

4-acetyltropolone

4-acetyltropolone

C9H8O3 (164.0473)


   

4-Methoxyisophthalaldehyde

4-Methoxyisophthalaldehyde

C9H8O3 (164.0473)


   

2-Acetoxytropone

2-Acetoxytropone

C9H8O3 (164.0473)


   

tridecapenta-3,5,7,9,11-yn-1-ene

tridecapenta-3,5,7,9,11-yn-1-ene

C13H8 (164.0626)


   

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

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

C9H8O3 (164.0473)


   

2-Hydroxy-2-(hydroxymethyl)butanedioic acid

2-Hydroxy-2-(hydroxymethyl)butanedioic acid

C5H8O6 (164.0321)


   

METHYL 4-FORMYLBENZOATE

METHYL 4-FORMYLBENZOATE

C9H8O3 (164.0473)


   

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

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

C9H8O3 (164.0473)


   

2-(4-Methoxyphenyl)-2-oxoacetaldehyde

2-(4-Methoxyphenyl)-2-oxoacetaldehyde

C9H8O3 (164.0473)


   

2-formylphenyl acetate

2-formylphenyl acetate

C9H8O3 (164.0473)


   

3,4-Methylenedioxyacetophenone

3,4-(Methylenedioxy)acetophenone

C9H8O3 (164.0473)


   

SCHEMBL20614543

SCHEMBL20614543

C5H9ClN2O2 (164.0353)


   

2,6-diformyl-4-methylphenol

2,6-diformyl-4-methylphenol

C9H8O3 (164.0473)


   

SCHEMBL6041177

SCHEMBL6041177

C6H12O3S (164.0507)


   

3-Coumaric acid

3-Coumaric acid

C9H8O3 (164.0473)


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

L-thialysine

C5H12N2O2S (164.0619)


A cysteine derivative that is the S-(2-aminoethyl) analogue of L-cysteine; reported to have cytotoxic effects. CONFIDENCE standard compound; ML_ID 48

   

Methyl 5-chloro-5-oxovalerate

methyl 5-chloro-5-oxopentanoate

C6H9ClO3 (164.024)


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

   

Ricinine

Ricinine

C8H8N2O2 (164.0586)


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

4-hydroxycinnamic acid

C9H8O3 (164.0473)


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 (164.0473)


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 (164.0473)


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 (164.0473)


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 (164.0473)


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 (164.0473)


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 (164.0473)


(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.

   

Lumazine

"2,4-DIHYDROXYPTERIDINE"

C6H4N4O2 (164.0334)


Pteridine-2,4(1H,3H)-dione is an endogenous metabolite.

   

2,4-Dihydroxypteridine

2,4-Dihydroxypteridine

C6H4N4O2 (164.0334)


   

trans-4-coumaric acid

trans-4-coumaric acid

C9H8O3 (164.0473)


Annotation level-1

   

3-Hydroxycinnamic acid

3-Hydroxycinnamic acid

C9H8O3 (164.0473)


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 (164.0473)


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 (164.0473)


Annotation level-2

   

Coumaric acid (isomer of 127)

Coumaric acid (isomer of 127)

C9H8O3 (164.0473)


Annotation level-3

   

Coumaric acid (isomer of 192, 194)

Coumaric acid (isomer of 192, 194)

C9H8O3 (164.0473)


Annotation level-2

   

Coumaric acid (isomer of 189, 194)

Coumaric acid (isomer of 189, 194)

C9H8O3 (164.0473)


Annotation level-3

   

Coumaric acid (isomer of 189, 192)

Coumaric acid (isomer of 189, 192)

C9H8O3 (164.0473)


Annotation level-2

   

Allicin + 2H (not validated, isomer of 328)

Allicin + 2H (not validated, isomer of 328)

C6H12OS2 (164.033)


Annotation level-3

   

Allicin + 2H (not validated, isomer of 327)

Allicin + 2H (not validated, isomer of 327)

C6H12OS2 (164.033)


Annotation level-3

   

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

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

C9H8O3 (164.0473)


   

7-hydroxychroman-4-one

7-hydroxychroman-4-one

C9H8O3 (164.0473)


   

Carbic anhydride

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

C9H8O3 (164.0473)


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_4-DIHYDROXYPTERIDINE

2_4-DIHYDROXYPTERIDINE

C6H4N4O2 (164.0334)


   

2-hydroxycinnamic acid_major

2-hydroxycinnamic acid_major

C9H8O3 (164.0473)


   

4-coumarate

4-hydroxycinnamic acid

C9H8O3 (164.0473)


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 (164.0473)


   

3,4-(Methylenedioxy)acetophenone

3,4-(Methylenedioxy)acetophenone

C9H8O3 (164.0473)


   

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

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

C9H8O3 (164.0473)


   

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

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

C9H8O3 (164.0473)


   

Thiosine

(2R)-2-amino-3-[(2-aminoethyl)sulfanyl]propanoic acid

C5H12N2O2S (164.0619)


D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors

   

cis-P-Coumarate

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

C9H8O3 (164.0473)


   

S-Allyl 1-propanesulfinothioate

3-[(propane-1-sulfinyl)sulfanyl]prop-1-ene

C6H12OS2 (164.033)


   

R-1-Propenyl 1-propanesulfinothioate

(1Z)-1-[(propane-1-sulfinyl)sulfanyl]prop-1-ene

C6H12OS2 (164.033)


   

R-Propyl 1-propenesulfinothioate

1-{[(1Z)-prop-1-ene-1-sulfinyl]sulfanyl}propane

C6H12OS2 (164.033)


   

(E)-1,11-Tridecadiene-3,5,7,9-tetrayne

(11Z)-trideca-1,11-dien-3,5,7,9-tetrayne

C13H8 (164.0626)


   

(Z)-1,3-Tridecadiene-5,7,9,11-tetrayne

(3E)-trideca-1,3-dien-5,7,9,11-tetrayne

C13H8 (164.0626)


   

S-Propyl 2-propene-1-sulfinothioate

1-[(prop-2-ene-1-sulfinyl)sulfanyl]propane

C6H12OS2 (164.033)


   

FA 9:5;O

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

C9H8O3 (164.0473)


   

(5-(but-3-en-1-yn-1-yl)thiophen-2-yl)methanol

(5-(but-3-en-1-yn-1-yl)thiophen-2-yl)methanol

C9H8OS (164.0296)


   

2-Nitro-3-hydroxy benzonitrile

2-Nitro-3-hydroxy benzonitrile

C7H4N2O3 (164.0222)


   

7-NITRO-2H-IMIDAZO[4,5-D]PYRIDINE

7-NITRO-2H-IMIDAZO[4,5-D]PYRIDINE

C6H4N4O2 (164.0334)


   

Sulfamide, (4,5-dihydro-1H-imidazol-2-yl)- (9CI)

Sulfamide, (4,5-dihydro-1H-imidazol-2-yl)- (9CI)

C3H8N4O2S (164.0368)


   

3,4-dimethylphenylmagnesium chloride

3,4-dimethylphenylmagnesium chloride

C8H9ClMg (164.0243)


   

1-METHYL-1H-BENZIMIDAZOLE-2-THIOL

1-METHYL-1H-BENZIMIDAZOLE-2-THIOL

C8H8N2S (164.0408)


   

2H-1,4-benzothiazin-3-amine

2H-1,4-benzothiazin-3-amine

C8H8N2S (164.0408)


   

Pyrrole-2-carboxylic acid, 5-cyano-3-methyl-, methyl ester (8CI)

Pyrrole-2-carboxylic acid, 5-cyano-3-methyl-, methyl ester (8CI)

C8H8N2O2 (164.0586)


   

5-Amino-3-methyl-1,2-benzisothiazole

5-Amino-3-methyl-1,2-benzisothiazole

C8H8N2S (164.0408)


   

7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-ol

7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-ol

C8H8N2O2 (164.0586)


   

7-Methoxy-1H-pyrrolo[2,3-c]pyridin-2(3H)-one

7-Methoxy-1H-pyrrolo[2,3-c]pyridin-2(3H)-one

C8H8N2O2 (164.0586)


   

T-Butyl 3-chloropropanoate

T-Butyl 3-chloropropanoate

C7H13ClO2 (164.0604)


   

2-Mercapto-5-methylbenzimidazole

2-Mercapto-5-methylbenzimidazole

C8H8N2S (164.0408)


   

N-NITROSOACETANILIDE

N-NITROSOACETANILIDE

C8H8N2O2 (164.0586)


   

7-chloro-2-methylindene

7-chloro-2-methylindene

C10H9Cl (164.0393)


   

1-benzothiophen-5-ylmethanol

1-benzothiophen-5-ylmethanol

C9H8OS (164.0296)


   

1,3-Benzothiazol-6-ylmethylamine

1,3-Benzothiazol-6-ylmethylamine

C8H8N2S (164.0408)


   

Ethyl 3-cyano-1H-pyrrole-2-carboxylate

Ethyl 3-cyano-1H-pyrrole-2-carboxylate

C8H8N2O2 (164.0586)


   

2-Acetylbenzoic acid

2-Acetylbenzoic acid

C9H8O3 (164.0473)


   

[1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid

[1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid

C6H4N4O2 (164.0334)


   

2-(4-Chlorobutyl)-1,3-dioxolane

2-(4-Chlorobutyl)-1,3-dioxolane

C7H13ClO2 (164.0604)


   

5-Nitro-1,3-benzoxazole

5-Nitro-1,3-benzoxazole

C7H4N2O3 (164.0222)


   

5-Hydroxy-2-nitrobenzonitrile

5-Hydroxy-2-nitrobenzonitrile

C7H4N2O3 (164.0222)


   

1,3-Benzodioxole-5-acetaldehyde

1,3-Benzodioxole-5-acetaldehyde

C9H8O3 (164.0473)


   

Methyl 4-chloro-3-methoxy-2-(E)-butenoate

Methyl 4-chloro-3-methoxy-2-(E)-butenoate

C6H9ClO3 (164.024)


   

Acetic acid, 2-chloro-,3-methylbutyl ester

Acetic acid, 2-chloro-,3-methylbutyl ester

C7H13ClO2 (164.0604)


   

2-methyl-4-thiocyanato-aniline

2-methyl-4-thiocyanato-aniline

C8H8N2S (164.0408)


   

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

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

C9H8O3 (164.0473)


   

Benzeneacetaldehyde,4-methoxy-a-oxo-

Benzeneacetaldehyde,4-methoxy-a-oxo-

C9H8O3 (164.0473)


   

5-METHOXY-1H-PYRROLO[2,3-C]PYRIDIN-2(3H)-ONE

5-METHOXY-1H-PYRROLO[2,3-C]PYRIDIN-2(3H)-ONE

C8H8N2O2 (164.0586)


   

(3R,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one

(3R,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one

C6H9FO4 (164.0485)


   

6-Nitrobenzo[d]oxazole

6-Nitrobenzo[d]oxazole

C7H4N2O3 (164.0222)


   

THIENO[3,2-B]THIOPHENE-2-CARBOXYLICACID

THIENO[3,2-B]THIOPHENE-2-CARBOXYLICACID

C10H9Cl (164.0393)


   

6-AMino-2H-1,4-benzoxazin-3(4H)-one

6-AMino-2H-1,4-benzoxazin-3(4H)-one

C8H8N2O2 (164.0586)


   

3-acetoxybenzaldehyde

3-acetoxybenzaldehyde

C9H8O3 (164.0473)


   

CHLOROMETHYL CYCLOHEXYL SULFIDE

CHLOROMETHYL CYCLOHEXYL SULFIDE

C7H13ClS (164.0426)


   

Hexyl chlorocarbonate

Hexyl chlorocarbonate

C7H13ClO2 (164.0604)


   

Benzene,1,2,4,5-tetrafluoro-3-methyl-

Benzene,1,2,4,5-tetrafluoro-3-methyl-

C7H4F4 (164.0249)


   

7-Hydroxy-2-chromanone

7-Hydroxy-2-chromanone

C9H8O3 (164.0473)


   

2-methylbenzylmagnesium chloride

2-methylbenzylmagnesium chloride

C8H9ClMg (164.0243)


   

methyl 6-chlorohexanoate

methyl 6-chlorohexanoate

C7H13ClO2 (164.0604)


   

4-Fluorobenzofuran-7-carbaldehyde

4-Fluorobenzofuran-7-carbaldehyde

C9H5FO2 (164.0274)


   

5-chloropentyl acetate

5-chloropentyl acetate

C7H13ClO2 (164.0604)


   

7-nitro-2,3-dihydro-1h-indole

7-nitro-2,3-dihydro-1h-indole

C8H8N2O2 (164.0586)


   

3,3,4,4,4-Pentafluorobutanol-1

3,3,4,4,4-Pentafluorobutan-1-ol

C4H5F5O (164.0261)


   

2,2,3,3,3-Pentafluoropropyl methyl ether

2,2,3,3,3-Pentafluoropropyl methyl ether

C4H5F5O (164.0261)


   

Acetamide,2-(hydroxyimino)-N-phenyl-

Acetamide,2-(hydroxyimino)-N-phenyl-

C8H8N2O2 (164.0586)


   

Potassium butyl(trifluoro)borate(1-)

Potassium butyl(trifluoro)borate(1-)

C4H9BF3K (164.0386)


   

6-Hydroxy-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione

6-Hydroxy-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione

C7H4N2O3 (164.0222)


   

PYRIMIDO[4,5-C]PYRIDAZINE-5,7(1H,6H)-DIONE

PYRIMIDO[4,5-C]PYRIDAZINE-5,7(1H,6H)-DIONE

C6H4N4O2 (164.0334)


   

4-methylbenzylmagnesium chloride

4-methylbenzylmagnesium chloride

C8H9ClMg (164.0243)


   

6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione

6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione

C6H4N4O2 (164.0334)


   

Pyrrolo[1,2-a]pyrazine-1,3,4(2H)-trione (9CI)

Pyrrolo[1,2-a]pyrazine-1,3,4(2H)-trione (9CI)

C7H4N2O3 (164.0222)


   

1H-Benzimidazole-5-carboxylic acid,2,3-dihydro-

1H-Benzimidazole-5-carboxylic acid,2,3-dihydro-

C8H8N2O2 (164.0586)


   

7-FLUORO-1H-INDAZOLE-3-CARBALDEHYDE

7-FLUORO-1H-INDAZOLE-3-CARBALDEHYDE

C8H5FN2O (164.0386)


   

ethyl 4-cyano-1H-pyrrole-2-carboxylate

ethyl 4-cyano-1H-pyrrole-2-carboxylate

C8H8N2O2 (164.0586)


   

8-CHLORO-1,2-DIHYDRO-NAPHTHALENE

8-CHLORO-1,2-DIHYDRO-NAPHTHALENE

C10H9Cl (164.0393)


   

1H-Pyrrole-2-carboxylicacid,3-cyano-5-methyl-,methylester(9CI)

1H-Pyrrole-2-carboxylicacid,3-cyano-5-methyl-,methylester(9CI)

C8H8N2O2 (164.0586)


   

4H-Cyclopenta[b]thiophene-3-carbonitrile,2-amino-5,6-dihydro-

4H-Cyclopenta[b]thiophene-3-carbonitrile,2-amino-5,6-dihydro-

C8H8N2S (164.0408)


   

potassium sec-butyltrifluoroborate

potassium sec-butyltrifluoroborate

C4H9BF3K (164.0386)


   

[5-(2-FURYL)ISOXAZOL-3-YL]METHYLAMINE

[5-(2-FURYL)ISOXAZOL-3-YL]METHYLAMINE

C8H8N2O2 (164.0586)


   

6-FLUORO-1H-BENZOIMIDAZOLE-2-CARBALDEHYDE

6-FLUORO-1H-BENZOIMIDAZOLE-2-CARBALDEHYDE

C8H5FN2O (164.0386)


   

benzo[1,3]dioxole-5-carboxamidine hcl

benzo[1,3]dioxole-5-carboxamidine hcl

C8H8N2O2 (164.0586)


   

3-Carbamimidoylbenzoic acid

3-Carbamimidoylbenzoic acid

C8H8N2O2 (164.0586)


   

2,2-BIS(HYDROXYMETHYL) MALONIC ACID

2,2-BIS(HYDROXYMETHYL) MALONIC ACID

C5H8O6 (164.0321)


   

4-amidinobenzoic acid

4-amidinobenzoic acid

C8H8N2O2 (164.0586)


   

4,4,5,5-TETRAMETHYL-1,3,2-DIOXAPHOSPHOLAN-2-OL

4,4,5,5-TETRAMETHYL-1,3,2-DIOXAPHOSPHOLAN-2-OL

C6H13O3P (164.0602)


   

2-chloro-N-(ethylcarbamoyl)acetamide

2-chloro-N-(ethylcarbamoyl)acetamide

C5H9ClN2O2 (164.0353)


   

3-HYDRAZINO-5-METHYL-4H-1,2,4-TRIAZOL-4-YLAMINE HYDROCHLORIDE

3-HYDRAZINO-5-METHYL-4H-1,2,4-TRIAZOL-4-YLAMINE HYDROCHLORIDE

C3H9ClN6 (164.0577)


   

3-METHYL-5-(2-THIENYL)-1H-PYRAZOLE

3-METHYL-5-(2-THIENYL)-1H-PYRAZOLE

C8H8N2S (164.0408)


   

6-methyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

6-methyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

C8H8N2O2 (164.0586)


   

6-Fluoroquinazolin-4-ol

6-Fluoroquinazolin-4-ol

C8H5FN2O (164.0386)


   

[1,2,4]triazolo[4,3-b]pyridazine-6-carboxylic acid

[1,2,4]triazolo[4,3-b]pyridazine-6-carboxylic acid

C6H4N4O2 (164.0334)


   

benzothiazol-2-ylmethylazanium

benzothiazol-2-ylmethylazanium

C8H8N2S (164.0408)


   

Benzene,1-azido-2-nitro-

Benzene,1-azido-2-nitro-

C6H4N4O2 (164.0334)


   

6-Nitro-2,1-benzisoxazole

6-Nitro-2,1-benzisoxazole

C7H4N2O3 (164.0222)


   

ethyl (2-chloroethylidene)carbazate

ethyl (2-chloroethylidene)carbazate

C5H9ClN2O2 (164.0353)


   

5-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

5-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

C8H5FN2O (164.0386)


   

2-HYDROXY-3-NITRO-BENZONITRILE

2-HYDROXY-3-NITRO-BENZONITRILE

C7H4N2O3 (164.0222)


   

6-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

6-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

C8H5FN2O (164.0386)


   

N-(6-formylpyridin-2-yl)acetamide

N-(6-formylpyridin-2-yl)acetamide

C8H8N2O2 (164.0586)


   

Pyrimido[4,5-d]pyridazine-2,4(1H,3H)-dione

Pyrimido[4,5-d]pyridazine-2,4(1H,3H)-dione

C6H4N4O2 (164.0334)


   

4-Nitroindoline

4-Nitroindoline

C8H8N2O2 (164.0586)


   

N-(5-formylpyridin-2-yl)acetamide

N-(5-formylpyridin-2-yl)acetamide

C8H8N2O2 (164.0586)


   

2H-Pyrido[3,2-D][1,3]oxazine-2,4(1H)-dione(9ci)

2H-Pyrido[3,2-D][1,3]oxazine-2,4(1H)-dione(9ci)

C7H4N2O3 (164.0222)


   

3-methylbenzylmagnesium chloride

3-methylbenzylmagnesium chloride

C8H9ClMg (164.0243)


   

6-Chloro-1,2-dihydronaphthalene

6-Chloro-1,2-dihydronaphthalene

C10H9Cl (164.0393)


   

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

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

C8H8N2S (164.0408)


   

Terephthalamide

1,4-Benzenedicarboxamide

C8H8N2O2 (164.0586)


   

3-nitro-6,7-dihydro-5h-cyclopenta[b]pyridine

3-nitro-6,7-dihydro-5h-cyclopenta[b]pyridine

C8H8N2O2 (164.0586)


   

1H-TETRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER SODIUM SALT

1H-TETRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER SODIUM SALT

C4H5N4NaO2 (164.031)


   

CHEMBRDG-BB 6624595

CHEMBRDG-BB 6624595

C8H8N2O2 (164.0586)


   

5-Methoxyisophthalic acid

5-Methoxyisophthalic acid

C9H8O3 (164.0473)


   

6-Fluoro-1H-indazole-3-carbaldehyde

6-Fluoro-1H-indazole-3-carbaldehyde

C8H5FN2O (164.0386)


   

5,6-Dimethoxynicotinonitrile

5,6-Dimethoxynicotinonitrile

C8H8N2O2 (164.0586)


   

5,6-Dimethoxypicolinonitrile

5,6-Dimethoxypicolinonitrile

C8H8N2O2 (164.0586)


   

Toluene, 2,3,4,5-tetrafluoro-

Toluene, 2,3,4,5-tetrafluoro-

C7H4F4 (164.0249)


   

5-(2-FLUOROPHENYL)-1H-1,2,3,4-TETRAAZOLE

5-(2-FLUOROPHENYL)-1H-1,2,3,4-TETRAAZOLE

C7H5FN4 (164.0498)


   

2-(4-formylphenyl)acetic acid

2-(4-formylphenyl)acetic acid

C9H8O3 (164.0473)


   

Thiazole, 5-methyl-2-(1H-pyrrol-1-yl)- (9CI)

Thiazole, 5-methyl-2-(1H-pyrrol-1-yl)- (9CI)

C8H8N2S (164.0408)


   

isobutyl 2-chloropropionate

isobutyl 2-chloropropionate

C7H13ClO2 (164.0604)


   

propyl 3-chlorobutanoate

propyl 3-chlorobutanoate

C7H13ClO2 (164.0604)


   

4,6-dimethyl-2,1,3-benzothiadiazole

4,6-dimethyl-2,1,3-benzothiadiazole

C8H8N2S (164.0408)


   

oxan-4-yl carbonochloridate

oxan-4-yl carbonochloridate

C6H9ClO3 (164.024)


   

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

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

C9H8O3 (164.0473)


   

2-chloroethyl 3-oxobutanoate

2-chloroethyl 3-oxobutanoate

C6H9ClO3 (164.024)


   

3-formyl-4-methylbenzoic acid

3-formyl-4-methylbenzoic acid

C9H8O3 (164.0473)


   

2,2-DIMETHOXY-1-THIA-2-SILACYCLOPENTANE

2,2-DIMETHOXY-1-THIA-2-SILACYCLOPENTANE

C5H12O2SSi (164.0327)


   

methyl 2-chloro-3-oxopentanoate

methyl 2-chloro-3-oxopentanoate

C6H9ClO3 (164.024)


   

Methyl 2-formylbenzoate

Methyl 2-formylbenzoate

C9H8O3 (164.0473)


   

3-Amino-2,6-piperidinedione hydrochloride

3-Amino-2,6-piperidinedione hydrochloride

C5H9ClN2O2 (164.0353)


   

Ethyl 4-chloroacetoacetate

Ethyl 4-chloroacetoacetate

C6H9ClO3 (164.024)


   

1H-Pyrrolo[1,2-a]pyrazine-3-carboxylic acid

1H-Pyrrolo[1,2-a]pyrazine-3-carboxylic acid

C8H8N2O2 (164.0586)


   

1,5-DIMETHYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE

1,5-DIMETHYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE

C6H7F3N2 (164.0561)


   

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

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

C9H8O3 (164.0473)


   

6-Fluoroquinoxalin-2(1H)-one

6-Fluoroquinoxalin-2(1H)-one

C8H5FN2O (164.0386)


   

2-chloro-4-methylnicotinaldehyde

2-chloro-4-methylnicotinaldehyde

C8H5FN2O (164.0386)


   

2-Methyl-1,3-oxathiolane-2-ethanethiol

2-Methyl-1,3-oxathiolane-2-ethanethiol

C6H12OS2 (164.033)


   

5-Methoxy-1,2-dihydro-3H-indazol-3-one

5-Methoxy-1,2-dihydro-3H-indazol-3-one

C8H8N2O2 (164.0586)


   

2-Benzofurancarboxaldehyde,5-fluoro-

2-Benzofurancarboxaldehyde,5-fluoro-

C9H5FO2 (164.0274)


   

5-Fluoro-1H-indazole-3-carbaldehyde

5-Fluoro-1H-indazole-3-carbaldehyde

C8H5FN2O (164.0386)


   

4H-3,1-benzothiazin-2-amine

4H-3,1-benzothiazin-2-amine

C8H8N2S (164.0408)


   

(S)-Isobutyl-2-chloropropanoate

(S)-Isobutyl-2-chloropropanoate

C7H13ClO2 (164.0604)


   

1-Benzothiophen-4-ylmethanol

1-Benzothiophen-4-ylmethanol

C9H8OS (164.0296)


   

8-Fluoro-4(1H)-quinazolinone

8-Fluoro-4(1H)-quinazolinone

C8H5FN2O (164.0386)


   

1-Methylsulfonyl-2-imidazolidinone

1-Methylsulfonyl-2-imidazolidinone

C4H8N2O3S (164.0256)


   

1H-Benzimidazole,5-(methylthio)-(9CI)

1H-Benzimidazole,5-(methylthio)-(9CI)

C8H8N2S (164.0408)


   

1H-Benzimidazole,4-(methylthio)-(9CI)

1H-Benzimidazole,4-(methylthio)-(9CI)

C8H8N2S (164.0408)


   

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

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

C9H8O3 (164.0473)


   

4-METHOXYBENZOFURAN-3(2H)-ONE

4-METHOXYBENZOFURAN-3(2H)-ONE

C9H8O3 (164.0473)


   

1-Benzothiophene-3,4-diamine

1-Benzothiophene-3,4-diamine

C8H8N2S (164.0408)


   

8-Fluoroimidazo[1,2-a]pyridine-3-carbaldehyde

8-Fluoroimidazo[1,2-a]pyridine-3-carbaldehyde

C8H5FN2O (164.0386)


   

1H-Benzimidazole-1-methanethiol(9CI)

1H-Benzimidazole-1-methanethiol(9CI)

C8H8N2S (164.0408)


   

3,5-Dimethoxy-2-pyridinecarbonitrile

3,5-Dimethoxy-2-pyridinecarbonitrile

C8H8N2O2 (164.0586)


   

1,5-benzodioxepin-3-one

1,5-benzodioxepin-3-one

C9H8O3 (164.0473)


   

5H-Pyrrolo[1,2-c]imidazole-3-carboxylicacid,methylester(9CI)

5H-Pyrrolo[1,2-c]imidazole-3-carboxylicacid,methylester(9CI)

C8H8N2O2 (164.0586)


   

5-Nitroisoindoline

5-Nitroisoindoline

C8H8N2O2 (164.0586)


   

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

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

C9H8O3 (164.0473)


   

4-Methoxy-1,2-benzisoxazol-3-amine

4-Methoxy-1,2-benzisoxazol-3-amine

C8H8N2O2 (164.0586)


   

1,4-Benzenedicarboxaldehyde dioxime

1,4-Benzenedicarboxaldehyde dioxime

C8H8N2O2 (164.0586)


   

5-(4-fluoro-phenyl)-2H-tetrazole

5-(4-fluoro-phenyl)-2H-tetrazole

C7H5FN4 (164.0498)


   

Isothiochromanone

Isothiochromanone

C9H8OS (164.0296)


   

METHYL 3-PYRIMIDIN-5-YL-ACRYLATE

METHYL 3-PYRIMIDIN-5-YL-ACRYLATE

C8H8N2O2 (164.0586)


   

4,6-dimethyl-2-sulfanylnicotinonitrile

4,6-dimethyl-2-sulfanylnicotinonitrile

C8H8N2S (164.0408)


   

sodium,furan-2-yl-dimethyl-oxidosilane

sodium,furan-2-yl-dimethyl-oxidosilane

C6H9NaO2Si (164.0269)


   

5-(3-fluorophenyl)-2H-tetrazole

5-(3-fluorophenyl)-2H-tetrazole

C7H5FN4 (164.0498)


   

3-(4-fluorophenyl)-1,2,4-oxadiazole

3-(4-fluorophenyl)-1,2,4-oxadiazole

C8H5FN2O (164.0386)


   

3-Nitro-1H-pyrazolo[3,4-b]pyridine

3-Nitro-1H-pyrazolo[3,4-b]pyridine

C6H4N4O2 (164.0334)


   

5-METHYLBENZO[D]ISOTHIAZOL-3-AMINE

5-METHYLBENZO[D]ISOTHIAZOL-3-AMINE

C8H8N2S (164.0408)


   

6-Fluoroimidazo[1,2-a]pyridine-3-carbaldehyde

6-Fluoroimidazo[1,2-a]pyridine-3-carbaldehyde

C8H5FN2O (164.0386)


   

1,5-dithiocan-3-ol

1,5-dithiocan-3-ol

C6H12OS2 (164.033)


   

magnesium,formaldehyde,oxygen(2-),phenol

magnesium,formaldehyde,oxygen(2-),phenol

C7H8MgO3 (164.0324)


   

methyl 4-chloro-3-methyl-4-oxobutanoate

methyl 4-chloro-3-methyl-4-oxobutanoate

C6H9ClO3 (164.024)


   

3-(4-amino-3-pyridyl)acrylic acid

3-(4-amino-3-pyridyl)acrylic acid

C8H8N2O2 (164.0586)


   

4-Methylbenzo[d]thiazol-2-amine

4-Methylbenzo[d]thiazol-2-amine

C8H8N2S (164.0408)


   

6-Methyl-2-benzothiazolamine

2-Amino-6-methylbenzothiazole

C8H8N2S (164.0408)


   

7-METHOXYBENZO[B]THIOPHENE

7-METHOXYBENZO[B]THIOPHENE

C9H8OS (164.0296)


   

Ammonium 1-pyrrolidinedithiocarbamate

Ammonium 1-pyrrolidinedithiocarbamate

C5H12N2S2 (164.0442)


   

3-chloro-2-hydroxypropyl acrylate

3-chloro-2-hydroxypropyl acrylate

C6H9ClO3 (164.024)


   

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

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

C9H8O3 (164.0473)


   

3-nitropyrazolo[1,5-a]pyrimidine

3-nitropyrazolo[1,5-a]pyrimidine

C6H4N4O2 (164.0334)


   

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

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

C9H8O3 (164.0473)


   

2,3-DIHYDROBENZOFURAN-3-CARBOXYLIC ACID

2,3-DIHYDROBENZOFURAN-3-CARBOXYLIC ACID

C9H8O3 (164.0473)


   

DIETHYL VINYLPHOSPHONATE

DIETHYL VINYLPHOSPHONATE

C6H13O3P (164.0602)


   

1-(Difluoromethyl)-2,4-difluorobenzene

1-(Difluoromethyl)-2,4-difluorobenzene

C7H4F4 (164.0249)


   

3-Acetylbenzoic acid

3-Acetylbenzoic acid

C9H8O3 (164.0473)


   

Tetrazolo[1,5-a]pyridine-6-carboxylic acid

Tetrazolo[1,5-a]pyridine-6-carboxylic acid

C6H4N4O2 (164.0334)


   

2-(5-CYANO-1-METHYL-1H-PYRROL-2-YL)ACETIC ACID

2-(5-CYANO-1-METHYL-1H-PYRROL-2-YL)ACETIC ACID

C8H8N2O2 (164.0586)


   

4,7-Pteridinediol

4,7-Pteridinediol

C6H4N4O2 (164.0334)


   

5-Fluoroimidazo[1,2-a]pyridine-2-carbaldehyde

5-Fluoroimidazo[1,2-a]pyridine-2-carbaldehyde

C8H5FN2O (164.0386)


   

3-(METHYLTHIO)-1H-INDAZOLE

3-(METHYLTHIO)-1H-INDAZOLE

C8H8N2S (164.0408)


   

(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)methanol

(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)methanol

C6H12O3S (164.0507)


   

4-Methoxy-1,2-dihydro-3H-indazol-3-one

4-Methoxy-1,2-dihydro-3H-indazol-3-one

C8H8N2O2 (164.0586)


   

2,6-dimethoxypyridine-3-carbonitrile

2,6-dimethoxypyridine-3-carbonitrile

C8H8N2O2 (164.0586)


   

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

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

C9H8O3 (164.0473)


   

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

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

C9H8O3 (164.0473)


   

THIOCHROMAN-3-ONE

THIOCHROMAN-3-ONE

C9H8OS (164.0296)


   

7-Fluoro-1,8-naphthyridin-2-ol

7-Fluoro-1,8-naphthyridin-2-ol

C8H5FN2O (164.0386)


   

2,3-Dihydrobenzofuran-6-carboxylic acid

2,3-Dihydrobenzofuran-6-carboxylic acid

C9H8O3 (164.0473)


   

Tetrazolo[1,5-a]pyridine-7-carboxylic acid

Tetrazolo[1,5-a]pyridine-7-carboxylic acid

C6H4N4O2 (164.0334)


   

3,3,4,4,4-pentafluoro-2-butanol

3,3,4,4,4-pentafluoro-2-butanol

C4H5F5O (164.0261)


   

Benzo[c][1,2,5]oxadiazol-5-ylboronic acid

Benzo[c][1,2,5]oxadiazol-5-ylboronic acid

C6H5BN2O3 (164.0393)


   

7-NITROBENZOFURAN-3(2H)-ONE

7-NITROBENZOFURAN-3(2H)-ONE

C9H8O3 (164.0473)


   

6-Methoxy-1H-indazol-5-ol

6-Methoxy-1H-indazol-5-ol

C8H8N2O2 (164.0586)


   

(2E)-3-(6-Amino-3-pyridinyl)acrylic acid

(2E)-3-(6-Amino-3-pyridinyl)acrylic acid

C8H8N2O2 (164.0586)


   

1-METHYL-5-(THIOPHEN-2-YL)-1H-PYRAZOLE

1-METHYL-5-(THIOPHEN-2-YL)-1H-PYRAZOLE

C8H8N2S (164.0408)


   

2-AMINO-5-CYANO-3-NITROPYRIDINE

2-AMINO-5-CYANO-3-NITROPYRIDINE

C6H4N4O2 (164.0334)


   

3-(2-Furyl)-1-methyl-1H-pyrazol-5-ol

3-(2-Furyl)-1-methyl-1H-pyrazol-5-ol

C8H8N2O2 (164.0586)


   

6-Nitroindoline

6-Nitroindoline

C8H8N2O2 (164.0586)


   

7-amino-3-methylbenzo[d]isoxazol-6-ol

7-amino-3-methylbenzo[d]isoxazol-6-ol

C8H8N2O2 (164.0586)


   

7-fluoro quinazolin-4-ol

7-fluoro quinazolin-4-ol

C8H5FN2O (164.0386)


   

5-METHOXY-BENZOFURAN-3-ONE

5-METHOXY-BENZOFURAN-3-ONE

C9H8O3 (164.0473)


   

Thiochroman-4-one

Thiochroman-4-one

C9H8OS (164.0296)


   

1,4-Benzodioxane-6-aldehyde

1,4-Benzodioxan-6-carboxaldehyde

C9H8O3 (164.0473)


   

N-carbamoyl-L-cysteine

N-carbamoyl-L-cysteine

C4H8N2O3S (164.0256)


A cysteine derivative that is the N-carbamoyl derivative of L-cysteine.

   

Phenethylmagnesium chloride

Phenethylmagnesium chloride

C8H9ClMg (164.0243)


   

5-FLUOROBENZOFURAN-3-CARBALDEHYDE

5-FLUOROBENZOFURAN-3-CARBALDEHYDE

C9H5FO2 (164.0274)


   

7-fluoro-1,5-naphthyridin-2-ol

7-fluoro-1,5-naphthyridin-2-ol

C8H5FN2O (164.0386)


   

6-METHOXYBENZO[D]ISOXAZOL-3-AMINE

6-METHOXYBENZO[D]ISOXAZOL-3-AMINE

C8H8N2O2 (164.0586)


   

7-Methyl-1,3-benzothiazol-2-amine

7-Methyl-1,3-benzothiazol-2-amine

C8H8N2S (164.0408)


   

1H-Benzimidazole,1-hydroxy-2-methyl-,3-oxide(9CI)

1H-Benzimidazole,1-hydroxy-2-methyl-,3-oxide(9CI)

C8H8N2O2 (164.0586)


   

5-amino-3-methyl-1,3-benzoxazol-2-one

5-amino-3-methyl-1,3-benzoxazol-2-one

C8H8N2O2 (164.0586)


   

4-ethenyl-2-hydroxybenzoic acid

4-ethenyl-2-hydroxybenzoic acid

C9H8O3 (164.0473)


   

3,4-Dimethoxy-1,2,5-thiadiazole 1-oxide

3,4-Dimethoxy-1,2,5-thiadiazole 1-oxide

C4H8N2O3S (164.0256)


   

(4-hydroxyphenyl) prop-2-enoate

(4-hydroxyphenyl) prop-2-enoate

C9H8O3 (164.0473)


   

tert- butyl 2-chloro-2-oxoacetate

tert- butyl 2-chloro-2-oxoacetate

C6H9ClO3 (164.024)


   

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

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

C9H8O3 (164.0473)


   

6-HYDROXY-CHROMAN-4-ONE

6-HYDROXY-CHROMAN-4-ONE

C9H8O3 (164.0473)


   

1-Chloro-2-methyl-1-oxopropan-2-yl acetate

1-Chloro-2-methyl-1-oxopropan-2-yl acetate

C6H9ClO3 (164.024)


   

6-Amino-2-methylbenzothiazole

6-Amino-2-methylbenzothiazole

C8H8N2S (164.0408)


   

4-Acetylbenzoic acid

4-Acetylbenzoic acid

C9H8O3 (164.0473)


   

2-METHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE

2-METHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE

C8H8N2O2 (164.0586)


   

5-methoxy-1,3-dihydrobenzimidazol-2-one

5-methoxy-1,3-dihydrobenzimidazol-2-one

C8H8N2O2 (164.0586)


   

5-Methoxy-1-benzothiophene

5-Methoxy-1-benzothiophene

C9H8OS (164.0296)


   

2,3-Dihydrobenzofuran-4-carboxylic acid

2,3-Dihydrobenzofuran-4-carboxylic acid

C9H8O3 (164.0473)


   

4-Nitro-2H-benzotriazole

4-Nitro-2H-benzotriazole

C6H4N4O2 (164.0334)


   

5-Nitro-1H-pyrazolo[3,4-b]pyridine

5-Nitro-1H-pyrazolo[3,4-b]pyridine

C6H4N4O2 (164.0334)


   

3-(ACETYLAMINO)-4-PYRIDIN-FORMALDEHYDE

3-(ACETYLAMINO)-4-PYRIDIN-FORMALDEHYDE

C8H8N2O2 (164.0586)


   

5-Methyl-1,3-benzothiazol-2-amine

5-Methyl-1,3-benzothiazol-2-amine

C8H8N2S (164.0408)


   

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

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

C9H8O3 (164.0473)


   

2-(Allyloxy)-1,4-benzoquinone

2-(Allyloxy)-1,4-benzoquinone

C9H8O3 (164.0473)


   

1-Piperidinesulfonamide

1-Piperidinesulfonamide

C5H12N2O2S (164.0619)


   

4-ACETYL-2-AMINO-5-METHYL-3-FURONITRILE

4-ACETYL-2-AMINO-5-METHYL-3-FURONITRILE

C8H8N2O2 (164.0586)


   

6-Methoxy-1,3-benzoxazol-2-amine

6-Methoxy-1,3-benzoxazol-2-amine

C8H8N2O2 (164.0586)


   

3-(4-AMINOPYRIDIN-3-YL)ACRYLIC ACID

3-(4-AMINOPYRIDIN-3-YL)ACRYLIC ACID

C8H8N2O2 (164.0586)


   

2H-Benzimidazol-2-one,1,3-dihydro-4-methoxy-(9CI)

2H-Benzimidazol-2-one,1,3-dihydro-4-methoxy-(9CI)

C8H8N2O2 (164.0586)


   

1,3-dioxolane-4-carbonyl chloride, 2,2-dimethyl-

1,3-dioxolane-4-carbonyl chloride, 2,2-dimethyl-

C6H9ClO3 (164.024)


   

4-methylbenzoylformic acid

4-methylbenzoylformic acid

C9H8O3 (164.0473)


   

4-Fluoro-1H-pyrrolo[2,3-c]pyridine-7-carbaldehyde

4-Fluoro-1H-pyrrolo[2,3-c]pyridine-7-carbaldehyde

C8H5FN2O (164.0386)


   

Pyrrole-2-carboxylic acid, 3-cyano-4,5-dimethyl- (8CI)

Pyrrole-2-carboxylic acid, 3-cyano-4,5-dimethyl- (8CI)

C8H8N2O2 (164.0586)


   

1-methylindazole-5-thiol

1-methylindazole-5-thiol

C8H8N2S (164.0408)


   

5,6-DIMETHYLBENZO-2,1,3-THIADIAZOLE

5,6-DIMETHYLBENZO-2,1,3-THIADIAZOLE

C8H8N2S (164.0408)


   

5-Fluoro-4-quinazolinol

5-Fluoro-4-quinazolinol

C8H5FN2O (164.0386)


   

ethyl 3-chloro-2,2-dimethylpropanoate

ethyl 3-chloro-2,2-dimethylpropanoate

C7H13ClO2 (164.0604)


   

5-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine

5-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine

C6H7F3N2 (164.0561)


   

1-Carbonyl-di(1,2,4-triazole)

1-Carbonyl-di(1,2,4-triazole)

C5H4N6O (164.0447)


   

6-Fluoro-4H-chromen-4-one

6-Fluoro-4H-chromen-4-one

C9H5FO2 (164.0274)


   

Methyl 3-formylbenzoate

Methyl 3-formylbenzoate

C9H8O3 (164.0473)


   

5-CHLORO-2-PENTANONE ETHYLENE KETAL

5-CHLORO-2-PENTANONE ETHYLENE KETAL

C7H13ClO2 (164.0604)


   

2-(2H-THIOPYRAN-4(3H,5H,6H)-YLIDENE)MALONONITRILE

2-(2H-THIOPYRAN-4(3H,5H,6H)-YLIDENE)MALONONITRILE

C8H8N2S (164.0408)


   

3-Amino-1-methanesulfonylpyrrolidine

3-Amino-1-methanesulfonylpyrrolidine

C5H12N2O2S (164.0619)


   

2-cyano-N-(furan-2-ylmethyl)acetamide

Acetamide,2-cyano-N-(2-furanylmethyl)-

C8H8N2O2 (164.0586)


   

4-methoxy-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

4-methoxy-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

C8H8N2O2 (164.0586)


   

1-benzothien-7-ylmethanol

Benzo[b]thiophen-7-ylmethanol

C9H8OS (164.0296)


   

7-fluoro-1H-1,6-naphthyridin-2-one

7-fluoro-1H-1,6-naphthyridin-2-one

C8H5FN2O (164.0386)


   

4-AMINO-6-METHYL-4,5-DIHYDRO-1,2,4-TRIAZIN-3(2H)-ONE HYDROCHLORIDE

4-AMINO-6-METHYL-4,5-DIHYDRO-1,2,4-TRIAZIN-3(2H)-ONE HYDROCHLORIDE

C4H9ClN4O (164.0465)


   

1,4-Dimethyl-3-cyano-6-hydroxypyrid-2-one

1,4-Dimethyl-3-cyano-6-hydroxypyrid-2-one

C8H8N2O2 (164.0586)


   

1-Chloroisobutyl propionate

1-Chloroisobutyl propionate

C7H13ClO2 (164.0604)


   

2,3,4,6-Tetrafluorotoluene

2,3,4,6-Tetrafluorotoluene

C7H4F4 (164.0249)


   

6-Chloro-2-oxohexanoic acid

6-Chloro-2-oxohexanoic acid

C6H9ClO3 (164.024)


   

2-Hydroxy-4-nitrobenzonitrile

2-Hydroxy-4-nitrobenzonitrile

C7H4N2O3 (164.0222)


   

(E)-Methyl 3-(pyrimidin-5-yl)acrylate

(E)-Methyl 3-(pyrimidin-5-yl)acrylate

C8H8N2O2 (164.0586)


   

4-Hydroxy-3-nitrobenzonitrile

4-Hydroxy-3-nitrobenzonitrile

C7H4N2O3 (164.0222)


   

2-METHYLTHIOBENZIMIDAZOLE

2-METHYLTHIOBENZIMIDAZOLE

C8H8N2S (164.0408)


   

(R)-4-Chloropentanoic acid ethyl ester

(R)-4-Chloropentanoic acid ethyl ester

C7H13ClO2 (164.0604)


   

3,4-DIMETHYL-1,6-DIHYDROPYRANO[2,3-C]PYRAZOL-6-ONE

3,4-DIMETHYL-1,6-DIHYDROPYRANO[2,3-C]PYRAZOL-6-ONE

C8H8N2O2 (164.0586)


   

4-methoxyphthalaldehyde

4-methoxyphthalaldehyde

C9H8O3 (164.0473)


   

Ethyl 5-cyano-1H-pyrrole-2-carboxylate

Ethyl 5-cyano-1H-pyrrole-2-carboxylate

C8H8N2O2 (164.0586)


   

Ethyl 2-Chloroacetoacetate

Ethyl 2-Chloroacetoacetate

C6H9ClO3 (164.024)


   

2-Cyclopropyl-5-pyrimidinecarboxylic acid

2-Cyclopropyl-5-pyrimidinecarboxylic acid

C8H8N2O2 (164.0586)


   

3-Nitroimidazo[1,2-b]pyridazine

3-Nitroimidazo[1,2-b]pyridazine

C6H4N4O2 (164.0334)


   

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

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

C9H8O3 (164.0473)


   

4-Formyl-3-Methylbenzoic acid

4-Formyl-3-Methylbenzoic acid

C9H8O3 (164.0473)


   

4,6-Dimethoxynicotinonitrile

4,6-Dimethoxynicotinonitrile

C8H8N2O2 (164.0586)


   

Butanoic acid, 2-amino-4-(S-methylsulfinimidoyl)- (9CI)

Butanoic acid, 2-amino-4-(S-methylsulfinimidoyl)- (9CI)

C5H12N2O2S (164.0619)


   

2,4-Dihydroxy-cinnamaldehyde

2,4-Dihydroxy-cinnamaldehyde

C9H8O3 (164.0473)


   

2(1H)-Quinazolinone, 7-fluoro-

2(1H)-Quinazolinone, 7-fluoro-

C8H5FN2O (164.0386)


   

chlorocarbonic acid-(1-methyl-pentyl ester)

chlorocarbonic acid-(1-methyl-pentyl ester)

C7H13ClO2 (164.0604)


   

6,7-DIHYDRO-1H,5H-PYRROLO[2,3-C]AZEPINE-4,8-DIONE

6,7-DIHYDRO-1H,5H-PYRROLO[2,3-C]AZEPINE-4,8-DIONE

C8H8N2O2 (164.0586)


   

5-Methoxy-1H-pyrrolo[3,2-b]pyridin-2(3H)-one

5-Methoxy-1H-pyrrolo[3,2-b]pyridin-2(3H)-one

C8H8N2O2 (164.0586)


   

Benzo[b]thiophene-2-methanol

Benzo[b]thiophene-2-methanol

C9H8OS (164.0296)


   

1H-Benzimidazol-4-ol,7-methoxy-(9CI)

1H-Benzimidazol-4-ol,7-methoxy-(9CI)

C8H8N2O2 (164.0586)


   

1-(Methylsulfonyl)piperazine

1-(Methylsulfonyl)piperazine

C5H12N2O2S (164.0619)


   

5-(trifluoromethyl)-1,2,4-triazin-3-amine

5-(trifluoromethyl)-1,2,4-triazin-3-amine

C4H3F3N4 (164.031)


   

N-methylbenzothiazol-2-amine

N-methylbenzothiazol-2-amine

C8H8N2S (164.0408)


   

ethylenediamine

ethylenediamine

C5H12N2O2S (164.0619)


   

3-nitroimidazo[1,2-a]pyrimidine

3-nitroimidazo[1,2-a]pyrimidine

C6H4N4O2 (164.0334)


   

2-Fluorobenzotrifluoride

2-Fluorobenzotrifluoride

C7H4F4 (164.0249)


   

2,1,3-Benzoxadiazole-5-carboxylic acid

2,1,3-Benzoxadiazole-5-carboxylic acid

C7H4N2O3 (164.0222)


   

3-nitrophenyl isocyanate

3-nitrophenyl isocyanate

C7H4N2O3 (164.0222)


   

6-Amino-3-methyl-1,3-benzoxazol-2(3H)-one

6-Amino-3-methyl-1,3-benzoxazol-2(3H)-one

C8H8N2O2 (164.0586)


   

6-Hydroxy-3,4-dihydroquinazolin-2(1H)-one

6-Hydroxy-3,4-dihydroquinazolin-2(1H)-one

C8H8N2O2 (164.0586)


   

1,2,4]TRIAZOLO[4,3-A]PYRAZINE-3-CARBOXYLIC ACID

1,2,4]TRIAZOLO[4,3-A]PYRAZINE-3-CARBOXYLIC ACID

C6H4N4O2 (164.0334)


   

1H-Imidazole,1,5-dimethyl-4-(trifluoromethyl)-(9CI)

1H-Imidazole,1,5-dimethyl-4-(trifluoromethyl)-(9CI)

C6H7F3N2 (164.0561)


   

Phthalamide

1,2-Benzenedicarboxamide

C8H8N2O2 (164.0586)


   

1-(PYRAZIN-2-YL)CYCLOPROPANECARBOXYLIC ACID

1-(PYRAZIN-2-YL)CYCLOPROPANECARBOXYLIC ACID

C8H8N2O2 (164.0586)


   

4-formyl-2-Methylbenzoic acid

4-formyl-2-Methylbenzoic acid

C9H8O3 (164.0473)


   

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

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

C9H8O3 (164.0473)


   

7-Amino-2H-1,4-benzoxazin-3(4H)-one

7-Amino-2H-1,4-benzoxazin-3(4H)-one

C8H8N2O2 (164.0586)


   

6-Methoxy-1,2-dihydro-3H-indazol-3-one

6-Methoxy-1,2-dihydro-3H-indazol-3-one

C8H8N2O2 (164.0586)


   

ethyl 3-chloro-2-methyl-3-oxopropanoate

ethyl 3-chloro-2-methyl-3-oxopropanoate

C6H9ClO3 (164.024)


   

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

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

C9H8O3 (164.0473)


   

5-Amino-2-methylbenzothiazole

5-Amino-2-methylbenzothiazole

C8H8N2S (164.0408)


   

3-Fluorobenzotrifluoride

3-Fluorobenzotrifluoride

C7H4F4 (164.0249)


   

p-Fluorobenzotrifluoride

p-Fluorobenzotrifluoride

C7H4F4 (164.0249)


   

6-Nitrobenzo[d]isoxazole

6-Nitrobenzo[d]isoxazole

C7H4N2O3 (164.0222)


   

1-benzothiophen-3-ylmethanol

1-benzothiophen-3-ylmethanol

C9H8OS (164.0296)


   

5-Nitrobenzotriazole

5-Nitrobenzotriazole

C6H4N4O2 (164.0334)


   

1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid

1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid

C6H4N4O2 (164.0334)


   

(E)-Methyl 4-chloro-3-methoxybut-2-enoate

(E)-Methyl 4-chloro-3-methoxybut-2-enoate

C6H9ClO3 (164.024)


   

Ethyl succinyl chloride

Ethyl succinyl chloride

C6H9ClO3 (164.024)


   

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

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

C9H8O3 (164.0473)


   

tetrafluoroboron; trimethylsulfanium

tetrafluoroboron; trimethylsulfanium

C3H9BF4S (164.0454)


   

6-NITRO-3H-IMIDAZO[4,5-B]PYRIDINE

6-NITRO-3H-IMIDAZO[4,5-B]PYRIDINE

C6H4N4O2 (164.0334)


   

2H-Pyran,2-(2-chloroethoxy)tetrahydro-

2H-Pyran,2-(2-chloroethoxy)tetrahydro-

C7H13ClO2 (164.0604)


   

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

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

C9H8O3 (164.0473)


   

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

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

C9H8O3 (164.0473)


   

6-Methoxy-3-benzofuranone

6-Methoxy-3-benzofuranone

C9H8O3 (164.0473)


   

6-Methoxy-1-benzothiophene

6-Methoxy-1-benzothiophene

C9H8OS (164.0296)


   

6-Nitro-[1,2,4]triazolo[4,3-a]pyridine

6-Nitro-[1,2,4]triazolo[4,3-a]pyridine

C6H4N4O2 (164.0334)


   

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

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

C9H8O3 (164.0473)


   

7-Methoxyphthalide

7-Methoxyphthalide

C9H8O3 (164.0473)


   

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

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

C9H8O3 (164.0473)


   

Caffeic aldehyde

Caffeic aldehyde

C9H8O3 (164.0473)


   

2-Phenyloxirane-2-carboxylic acid

2-Phenyloxirane-2-carboxylic acid

C9H8O3 (164.0473)


   

1,11-Tridecadiene-3,5,7,9-tetrayne

1,11-Tridecadiene-3,5,7,9-tetrayne

C13H8 (164.0626)


(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.

   

2-Amino-4-nitrososulfanylbutanoic acid

2-Amino-4-nitrososulfanylbutanoic acid

C4H8N2O3S (164.0256)


   

4-Dimethylsulfonio-2-hydroxybutyrate

4-Dimethylsulfonio-2-hydroxybutyrate

C6H12O3S (164.0507)


   

1H-Purine-6-carboxylic acid

1H-Purine-6-carboxylic acid

C6H4N4O2 (164.0334)


   

DL-Methionine hydroxamate

DL-Methionine hydroxamate

C5H12N2O2S (164.0619)


   

Hydroxycinnamic acid

Hydroxycinnamic acid

C9H8O3 (164.0473)


The cis-stereoisomer of 3-coumaric acid.

   

Butanedioic acid, 2-hydroxy-2-(hydroxymethyl)-

Butanedioic acid, 2-hydroxy-2-(hydroxymethyl)-

C5H8O6 (164.0321)


   

3-Phenyloxirane-2-carboxylic acid

3-Phenyloxirane-2-carboxylic acid

C9H8O3 (164.0473)


   

4-Methoxybenzofuran-6-ol

4-Methoxybenzofuran-6-ol

C9H8O3 (164.0473)


   

(2R)-2,4-Dihydroxy-2-(hydroxymethyl)-3-oxobutanoic acid

(2R)-2,4-Dihydroxy-2-(hydroxymethyl)-3-oxobutanoic acid

C5H8O6 (164.0321)


   

3-Chloro-2-trimethylsiloxypropene

3-Chloro-2-trimethylsiloxypropene

C6H13ClOSi (164.0424)


   

(3-Formyl-but-3-enyl)-phosphonic acid

(3-Formyl-but-3-enyl)-phosphonic acid

C5H9O4P (164.0238)


   

CHEBI:17450

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

C9H8O3 (164.0473)


   

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 (164.0473)


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 (164.0473)


(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.

   

Ricinin

3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-1-methyl-2-oxo- (9CI)

C8H8N2O2 (164.0586)


   

Coumarinic acid

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

C9H8O3 (164.0473)


   

156-06-9

Benzenepropanoic acid, .alpha.-oxo-

C9H8O3 (164.0473)


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].

   

N-Formylanthranilate

N-Formylanthranilate

C8H6NO3- (164.0348)


An amidobenzoate consisting of anthranilate carrying an N-formyl group.

   

2-Aminophenylglyoxylate

2-Aminophenylglyoxylate

C8H6NO3- (164.0348)


A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-aminophenylglyoxylic acid, obtained by deprotonation of the carboxy group.

   

3,3-Dimethylallyl phosphate

3,3-Dimethylallyl phosphate

C5H9O4P-2 (164.0238)


   

isopentenyl-P

isopentenyl-P

C5H9O4P-2 (164.0238)


   

(2R)-4-(dimethylsulfaniumyl)-2-hydroxybutanoate

(2R)-4-(dimethylsulfaniumyl)-2-hydroxybutanoate

C6H12O3S (164.0507)


   

L-arabinuronic acid

L-arabinuronic acid

C5H8O6 (164.0321)


   

3-(sulfanylcarbamoyl)-L-alanine

3-(sulfanylcarbamoyl)-L-alanine

C4H8N2O3S (164.0256)


   

(2S)-2-amino-4-oxo-4-(sulfanylamino)butanoic acid

(2S)-2-amino-4-oxo-4-(sulfanylamino)butanoic acid

C4H8N2O3S (164.0256)


   

D-xyluronic acid

D-xyluronic acid

C5H8O6 (164.0321)


   

Acetic benzoic anhydride

Acetic benzoic anhydride

C9H8O3 (164.0473)


   

D-Arabinuronic acid

D-Arabinuronic acid

C5H8O6 (164.0321)


   

2,4-Dihydroxypentanedioic acid

2,4-Dihydroxypentanedioic acid

C5H8O6 (164.0321)


   

1-Nitro-1,3,5-triazinane-2,4-diol

1-Nitro-1,3,5-triazinane-2,4-diol

C3H8N4O4 (164.0546)


   

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

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

C9H8O3 (164.0473)


   

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

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

C9H8O3 (164.0473)


   

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

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

C9H8O3 (164.0473)


   

Propyl(1-propenylthio) sulfoxide

Propyl(1-propenylthio) sulfoxide

C6H12OS2 (164.033)


   

3-Chloro-4,4-dimethoxy-2-methyl-1-butene

3-Chloro-4,4-dimethoxy-2-methyl-1-butene

C7H13ClO2 (164.0604)


   

1-Chloro-3-trimethylsilyl-2-propanone

1-Chloro-3-trimethylsilyl-2-propanone

C6H13ClOSi (164.0424)


   

cis-p-Coumaric acid

cis-p-Coumaric acid

C9H8O3 (164.0473)


The cis-form of 4-coumaric acid.

   

Phenyloxyl acetic acid

3-oxo-3-phenylpropanoic acid

C9H8O3 (164.0473)


   

(3S,4R)-3,4,5-trihydroxy-2-keto-valeric acid

(3S,4R)-3,4,5-trihydroxy-2-keto-valeric acid

C5H8O6 (164.0321)


   

Methyl Phenylglyoxalate

Methyl Phenylglyoxalate

C9H8O3 (164.0473)


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

   

Caffeylaldehyde

3,4-Dihydroxycinnamaldehyde

C9H8O3 (164.0473)


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

   

S-Aminoethyl-L-cysteine

S-(2-Aminoethyl)-L-cysteine

C5H12N2O2S (164.0619)


D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors

   

Benzoylurea

Benzamide,N-(aminocarbonyl)-

C8H8N2O2 (164.0586)


   

Isophthalamide

1,3-Benzenedicarboxamide

C8H8N2O2 (164.0586)


   

S-2-Propenyl 1-propanesulfinothioate

S-2-Propenyl 1-propanesulfinothioate

C6H12OS2 (164.033)


   

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

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

C9H8O3 (164.0473)


   

2-Coumaric acid

2-Coumaric acid

C9H8O3 (164.0473)


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

   

keto-Phenylpyruvic acid

keto-Phenylpyruvic acid

C9H8O3 (164.0473)


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 (164.0473)


The cis-isomer of 2-coumaric acid.

   

trans-3-coumaric acid

trans-3-coumaric acid

C9H8O3 (164.0473)


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

   

enol-Phenylpyruvic acid

enol-Phenylpyruvic acid

C9H8O3 (164.0473)


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.

   

Trihydroxyketo-valeric acid

Trihydroxyketo-valeric acid

C5H8O6 (164.0321)


   

1-[(propane-1-sulfinyl)sulfanyl]prop-1-ene

1-[(propane-1-sulfinyl)sulfanyl]prop-1-ene

C6H12OS2 (164.033)


   

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

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

C9H8O3 (164.0473)


   

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

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

C9H8O3 (164.0473)


   

(2r)-2-hydroxy-2-(hydroxymethyl)butanedioic acid

(2r)-2-hydroxy-2-(hydroxymethyl)butanedioic acid

C5H8O6 (164.0321)


   

1,11 e-tridecadiene-3,5,7,9-tetrayne

NA

C13H8 (164.0626)


{"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

NA

C9H8O3 (164.0473)


{"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

(1e)-1-{[(r)-propane-1-sulfinyl]sulfanyl}prop-1-ene

C6H12OS2 (164.033)


   

trideca-1,3-dien-5,7,9,11-tetrayne

trideca-1,3-dien-5,7,9,11-tetrayne

C13H8 (164.0626)


   

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

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

C9H8O3 (164.0473)


   

trideca-2,4,6,8,10-pentayne

trideca-2,4,6,8,10-pentayne

C13H8 (164.0626)


   

(11e)-trideca-1,11-dien-3,5,7,9-tetrayne

(11e)-trideca-1,11-dien-3,5,7,9-tetrayne

C13H8 (164.0626)


   

5-acetyl-2-hydroxybenzaldehyde

5-acetyl-2-hydroxybenzaldehyde

C9H8O3 (164.0473)


   

1-{[(1e)-prop-1-ene-1-sulfinyl]sulfanyl}propane

1-{[(1e)-prop-1-ene-1-sulfinyl]sulfanyl}propane

C6H12OS2 (164.033)


   

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

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

C9H8O3 (164.0473)


   

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

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

C9H8O3 (164.0473)


   

1-[(prop-2-en-1-yloxy)-λ⁴-disulfanyl]propane

1-[(prop-2-en-1-yloxy)-λ⁴-disulfanyl]propane

C6H12OS2 (164.033)


   

trideca-1,3,5,7,9-pentayne

trideca-1,3,5,7,9-pentayne

C13H8 (164.0626)


   

1h,5h,6h,7h-pyrrolo[2,3-c]azepine-4,8-dione

1h,5h,6h,7h-pyrrolo[2,3-c]azepine-4,8-dione

C8H8N2O2 (164.0586)


   

n-[3-(methylsulfanyl)propyl]carbamimidothioic acid

n-[3-(methylsulfanyl)propyl]carbamimidothioic acid

C5H12N2S2 (164.0442)


   

(1e)-1-[(propane-1-sulfinyl)sulfanyl]prop-1-ene

(1e)-1-[(propane-1-sulfinyl)sulfanyl]prop-1-ene

C6H12OS2 (164.033)


   

(1z)-1-{[(r)-propane-1-sulfinyl]sulfanyl}prop-1-ene

(1z)-1-{[(r)-propane-1-sulfinyl]sulfanyl}prop-1-ene

C6H12OS2 (164.033)


   

3-(propoxy-λ⁴-disulfanyl)prop-1-ene

3-(propoxy-λ⁴-disulfanyl)prop-1-ene

C6H12OS2 (164.033)


   

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

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

C9H8O3 (164.0473)