Exact Mass: 206.0328

Exact Mass Matches: 206.0328

Found 222 metabolites which its exact mass value is equals to given mass value 206.0328, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

2-Methylcitric acid

2-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid

C7H10O7 (206.0427)


Methylcitric acid (MCA) is elevated in body fluids of patients with propionic acidaemia (PA; OMIM 232000, 232050), methylmalonic aciduria (MMA; OMIM 251000, 251120) and multiple carboxylase deficiency (OMIM 253260, 253270), which are inherited disorders. MCA is formed by condensation of accumulated propionyl- CoA and oxalacetate by the enzyme si-citrate synthase (EC 4.1.3.7). MCA molecule has two stereogenic centers so that it can occur in the form of four stereoisomers. Only two stereoisomers of MCA, (2S, 3S) and (2R, 3S), were found in human urine (PMID: 17295121). Methylcitric acid (MCA) is elevated in body fluids of patients with propionic acidaemia (PA; OMIM 232000, 232050), methylmalonic aciduria (MMA; OMIM 251000, 251120) and multiple carboxylase deficiency (OMIM 253260, 253270). MCA is formed by condensation of accumulated propionyl- CoA and oxalacetate by the enzyme si-citrate synthase (EC 4.1.3.7). MCA molecule has two stereogenic centers so that it can occur in the form of four stereoisomers. Only two stereoisomers of MCA, (2S, 3S) and (2R, 3S), were found in human urine. (PMID: 17295121) [HMDB] 2-Methylcitric acid (Methylcitric acid) is an endogenous metabolite in the 2-methylcitric acid cycle. 2-Methylcitric acid accumulates in methylmalonic and propionic acidemias and acts as a marker metabolite. 2-Methylcitric acid markedly inhibits ADP-stimulated and uncoupled respiration in mitochondria supported by glutamate[1]. 2-Methylcitric acid (Methylcitric acid) is an endogenous metabolite in the 2-methylcitric acid cycle. 2-Methylcitric acid accumulates in methylmalonic and propionic acidemias and acts as a marker metabolite. 2-Methylcitric acid markedly inhibits ADP-stimulated and uncoupled respiration in mitochondria supported by glutamate[1]. 2-Methylcitric acid (Methylcitric acid) is an endogenous metabolite in the 2-methylcitric acid cycle. 2-Methylcitric acid accumulates in methylmalonic and propionic acidemias and acts as a marker metabolite. 2-Methylcitric acid markedly inhibits ADP-stimulated and uncoupled respiration in mitochondria supported by glutamate[1].

   

Homocitric acid

(2R)-2-hydroxybutane-1,2,4-tricarboxylic acid

C7H10O7 (206.0427)


Homocitric acid (CAS: 3562-74-1) is a normal urinary organic acid (PMID: 14708889). Homocitric acid is a citric acid analogue found as a minor metabolite in urine samples from patients with propionic acidaemia. Homocitric acid is formed by citrate synthase due to propionyl-CoA carboxylase deficiency (by the citrate synthase condensation reaction of alpha-ketoglutarate with acetyl coenzyme A and propionyl coenzyme A) (PMID: 7850997). Homocitric acid has been identified in the human placenta (PMID: 32033212). Homocitric acid is a normal urinary organic acid. (PMID: 14708889)

   

Methylisocitric acid

1-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid

C7H10O7 (206.0427)


Methylisocitric acid is a product of bacterial metabolism in the gut. It can be produced by 2-methylisocitrate lyase and by 2-methylisocitrate dehydratase. Methylisocitric acid has also been found to be a metabolite of Candida (https://www.tandfonline.com/doi/pdf/10.1080/00021369.1974.10861293). Methylisocitric acid is a product of bacterial metabolism in the gut. It can be produced by 2-methylisocitrate lyase and by 2-methylisocitrate dehydratase. [HMDB]

   

Homoisocitrate

(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid

C7H10O7 (206.0427)


   

Methyl (Z)-5-(1-propynyl)-2-thienylacrylate

Methyl (2Z)-3-[5-(prop-1-yn-1-yl)thiophen-2-yl]prop-2-enoic acid

C11H10O2S (206.0401)


Methyl (Z)-5-(1-propynyl)-2-thienylacrylate is found in herbs and spices. Methyl (Z)-5-(1-propynyl)-2-thienylacrylate is isolated from Tanacetum vulgare (tansy Isolated from Tanacetum vulgare (tansy). Methyl (Z)-5-(1-propynyl)-2-thienylacrylate is found in herbs and spices.

   

Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate

Methyl (2E)-5-(5-methylthiophen-2-yl)pent-2-en-4-ynoic acid

C11H10O2S (206.0401)


Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate is found in herbs and spices. Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate is isolated from roots of Artemisia vulgaris (mugwort) and Anthemis nobilis (Roman chamomile). Isolated from roots of Artemisia vulgaris (mugwort) and Anthemis nobilis (Roman chamomile). Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate is found in herbs and spices.

   

3-(Carboxymethyl)-3-hydroxypentanedioic acid

3-(Carboxymethyl)-3-hydroxypentanedioic acid

C7H10O7 (206.0427)


3-(Carboxymethyl)-3-hydroxypentanedioic acid belongs to the family of Tricarboxylic Acids and Derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof)

   

2-Methoxypropane-1,2,3-tricarboxylic acid

2-Methoxypropane-1,2,3-tricarboxylic acid

C7H10O7 (206.0427)


   

4-Nitro-3-(trifluoromethyl)aniline

4-Nitro-3-(trifluoromethyl)aniline

C7H5F3N2O2 (206.0303)


   

Glucose ketone

1,4,5,6-tetrahydroxy-3-(hydroxymethyl)-2-oxabicyclo[4.1.0]heptan-7-one

C7H10O7 (206.0427)


   

1,3-Dinitro-5-nitroso-1,3,5-triazinane

Hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine

C3H6N6O5 (206.04)


   
   

2-Hydroxy-6-(trifluoromethyl)nicotinamide

2-Hydroxy-6-(trifluoromethyl)nicotinamide

C7H5F3N2O2 (206.0303)


   

3-Hydroxy-3-(methoxycarbonyl)pentanedioic acid

3-Hydroxy-3-(methoxycarbonyl)pentanedioic acid

C7H10O7 (206.0427)


   

6-(4-Methylmercapto-penten-(3)-in-(1)-yl)-alpha-pyron|6-<4-Methylmercapto-penten-(3)-in-(1)-yl>-alpha-pyron

6-(4-Methylmercapto-penten-(3)-in-(1)-yl)-alpha-pyron|6-<4-Methylmercapto-penten-(3)-in-(1)-yl>-alpha-pyron

C11H10O2S (206.0401)


   

trans,trans-4-(3-Methylmercapto-hexen-(2)-in-(4)-yliden)-butenolid|trans,trans-4-<3-Methylmercapto-hexen-(2)-in-(4)-yliden>-butenolid

trans,trans-4-(3-Methylmercapto-hexen-(2)-in-(4)-yliden)-butenolid|trans,trans-4-<3-Methylmercapto-hexen-(2)-in-(4)-yliden>-butenolid

C11H10O2S (206.0401)


   

5-<(Z)-5-Methylmercapto-hex-4c-en-2-in-yliden>-5H-furan-2-on|trans-4-(5-Methylmercapto-hexen-cis-(4)-in-(2)-yliden)-butenolid|trans-4-<5-Methylmercapto-hexen-cis-(4)-in-(2)-yliden>-butenolid

5-<(Z)-5-Methylmercapto-hex-4c-en-2-in-yliden>-5H-furan-2-on|trans-4-(5-Methylmercapto-hexen-cis-(4)-in-(2)-yliden)-butenolid|trans-4-<5-Methylmercapto-hexen-cis-(4)-in-(2)-yliden>-butenolid

C11H10O2S (206.0401)


   

7-Methylthio-2,6-decadiene-4,8-diynoic acid

7-Methylthio-2,6-decadiene-4,8-diynoic acid

C11H10O2S (206.0401)


   

6-[4-(Methylthio)-1,2,3-pentatrienyl]-2H-pyran-2-one

6-[4-(Methylthio)-1,2,3-pentatrienyl]-2H-pyran-2-one

C11H10O2S (206.0401)


   

5-Methyl-4-(methylthio)coumarin

5-Methyl-4-(methylthio)coumarin

C11H10O2S (206.0401)


   

cerheptaric acid

cerheptaric acid

C7H10O7 (206.0427)


   

2-[2-(methylsulfanyl)ethyl]-3-oxobutanedioate

2-[2-(methylsulfanyl)ethyl]-3-oxobutanedioate

C7H10O5S (206.0249)


   

Methyl citrate

2-Hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid

C7H10O7 (206.0427)


2-Hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid is a carbonyl compound. 2-Hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid is a natural product found in Opuntia ficus-indica with data available. Methyl citrate is a Monoamine oxidase B (MAO-B) inhibitor (IC50=0.23 mM). Methyl citrate is isolated from the fruits of Opuntia ficus-indica var. saboten Makino[1].

   

2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid

NCGC00385398-01!2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid

C7H10O7 (206.0427)


   

2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid [IIN-based on: CCMSLIB00000848116]

NCGC00385398-01!2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid [IIN-based on: CCMSLIB00000848116]

C7H10O7 (206.0427)


   

2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid [IIN-based: Match]

NCGC00385398-01!2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid [IIN-based: Match]

C7H10O7 (206.0427)


   

saturated Honaucin A

saturated Honaucin A

C8H11ClO4 (206.0346)


   

5-Amino-2-nitrobenzotrifluoride

4-Nitro-3-(trifluoromethyl)aniline

C7H5F3N2O2 (206.0303)


   

Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate

methyl (2E)-5-(5-methylthiophen-2-yl)pent-2-en-4-ynoate

C11H10O2S (206.0401)


   

Methyl (Z)-5-(1-propynyl)-2-thienylacrylate

methyl (2Z)-3-[5-(prop-1-yn-1-yl)thiophen-2-yl]prop-2-enoate

C11H10O2S (206.0401)


   

FA 7:2;O5

(2R,3S)-2-hydroxybutane-1,2,3-tricarboxylic acid;3-C-carboxy-2,4-dideoxy-2-methyl-D-threo-pentaric acid

C7H10O7 (206.0427)


   

AcOCH2BBT

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

C11H10O2S (206.0401)


   

7-chloroquinoline-2-carboxamide

7-chloroquinoline-2-carboxamide

C10H7ClN2O (206.0247)


   

2-Methyl-3-nitro-5-trifluoromethyl-pyridine

2-Methyl-3-nitro-5-trifluoromethyl-pyridine

C7H5F3N2O2 (206.0303)


   

5-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

5-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

C11H10O2S (206.0401)


   

5-NITRO-1H-INDOLE-2-CARBOXYLIC ACID

5-NITRO-1H-INDOLE-2-CARBOXYLIC ACID

C9H6N2O4 (206.0328)


   

4-Chloro-2-phenyl-1H-imidazole-5-carbaldehyde

4-Chloro-2-phenyl-1H-imidazole-5-carbaldehyde

C10H7ClN2O (206.0247)


   

Isoindolin-4-amine dihydrochloride

Isoindolin-4-amine dihydrochloride

C8H12Cl2N2 (206.0377)


   

5-(4-fluoro-phenyl)-furan-2-carboxylic acid

5-(4-fluoro-phenyl)-furan-2-carboxylic acid

C11H7FO3 (206.0379)


   

2-Nitro-3-(trifluoromethyl)aniline

2-Nitro-3-(trifluoromethyl)aniline

C7H5F3N2O2 (206.0303)


   

2-fluoro-3-(trifluoromethyl)acetophenone

2-fluoro-3-(trifluoromethyl)acetophenone

C9H6F4O (206.0355)


   

1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudoeura

1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudoeura

C6H10N2O4S (206.0361)


   

1,2,3,4-TETRAHYDRO-2,7-NAPHTHYRIDINE DIHYDROCHLORIDE

1,2,3,4-TETRAHYDRO-2,7-NAPHTHYRIDINE DIHYDROCHLORIDE

C8H12Cl2N2 (206.0377)


   

6-(4-CHLOROPHENYL)-3(2H)PYRIDAZINONE

6-(4-CHLOROPHENYL)-3(2H)PYRIDAZINONE

C10H7ClN2O (206.0247)


   

Methyl 3-(trifluoromethyl)-2-pyrazinecarboxylate

Methyl 3-(trifluoromethyl)-2-pyrazinecarboxylate

C7H5F3N2O2 (206.0303)


   

5-chloro-2-methyl-6-phenyl-2,3-dihydropyridazin-3-one

5-chloro-2-methyl-6-phenyl-2,3-dihydropyridazin-3-one

C10H7ClN2O (206.0247)


   

[2-(Trifluoromethoxy)phenyl]boronic acid

[2-(Trifluoromethoxy)phenyl]boronic acid

C7H6BF3O3 (206.0362)


   

1-methyl-3-propyl-1,2-dihydroimidazol-1-ium,bromide

1-methyl-3-propyl-1,2-dihydroimidazol-1-ium,bromide

C7H15BrN2 (206.0419)


   

2-methoxy-4-thiophen-3-ylphenol

2-methoxy-4-thiophen-3-ylphenol

C11H10O2S (206.0401)


   

4-methyl-5-nitro-2-(trifluoromethyl)pyridine

4-methyl-5-nitro-2-(trifluoromethyl)pyridine

C7H5F3N2O2 (206.0303)


   

6-Nitro-1H-indole-2-carboxylic acid

6-Nitro-1H-indole-2-carboxylic acid

C9H6N2O4 (206.0328)


   

1H-Indol-6-amine,2,3-dihydro-, hydrochloride (1:2)

1H-Indol-6-amine,2,3-dihydro-, hydrochloride (1:2)

C8H12Cl2N2 (206.0377)


   

1,4-Benzenediamine sulfate (1:1)

1,4-Benzenediamine sulfate (1:1)

C6H10N2O4S (206.0361)


   

1-Bromooctan-2-one

1-Bromooctan-2-one

C8H15BrO (206.0306)


   

1-(2-Chlorophenyl)-1H-pyrazole-4-carbaldehyde

1-(2-Chlorophenyl)-1H-pyrazole-4-carbaldehyde

C10H7ClN2O (206.0247)


   

2-(3-Azetidinyl)pyridine dihydrochloride

2-(3-Azetidinyl)pyridine dihydrochloride

C8H12Cl2N2 (206.0377)


   

2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE-5-CARBOXYLIC ACID

2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE-5-CARBOXYLIC ACID

C9H6N2O4 (206.0328)


   

3-Methoxy-2,4,6-trifluorophenylboronic acid

3-Methoxy-2,4,6-trifluorophenylboronic acid

C7H6BF3O3 (206.0362)


   

2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER

2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER

C7H5F3N2O2 (206.0303)


   

METHYL 4-(TRIFLUOROMETHYL)PYRIMIDINE-2-CARBOXYLATE

METHYL 4-(TRIFLUOROMETHYL)PYRIMIDINE-2-CARBOXYLATE

C7H5F3N2O2 (206.0303)


   

2,2,2-trifluoro-1-(5-fluoro-2-methylphenyl)ethanone

2,2,2-trifluoro-1-(5-fluoro-2-methylphenyl)ethanone

C9H6F4O (206.0355)


   

3-(3-Azetidinyl)pyridine dihydrochloride

3-(3-Azetidinyl)pyridine dihydrochloride

C8H12Cl2N2 (206.0377)


   

5-amino-2-(trifluoromethyl)pyridine-4-carboxylic acid

5-amino-2-(trifluoromethyl)pyridine-4-carboxylic acid

C7H5F3N2O2 (206.0303)


   

3-(1-benzothiophen-3-yl)propanoic acid

3-(1-benzothiophen-3-yl)propanoic acid

C11H10O2S (206.0401)


   

3-CHLORO-4-(1H-PYRAZOL-1-YL)BENZALDEHYDE

3-CHLORO-4-(1H-PYRAZOL-1-YL)BENZALDEHYDE

C10H7ClN2O (206.0247)


   

5-nitroindole-3-carboxylic acid

5-nitroindole-3-carboxylic acid

C9H6N2O4 (206.0328)


   

2-Amino-4-nitrobenzotrifluoride

2-Amino-4-nitrobenzotrifluoride

C7H5F3N2O2 (206.0303)


   

2,4-Dihydroxyquinazoline-7-carboxylic acid

2,4-Dihydroxyquinazoline-7-carboxylic acid

C9H6N2O4 (206.0328)


   

(4-FLUORO-3-NITROPHENYL)METHANAMINE HYDROCHLORIDE

(4-FLUORO-3-NITROPHENYL)METHANAMINE HYDROCHLORIDE

C7H8ClFN2O2 (206.0258)


   

5-Fluoro-6-hydroxy-naphthalene-1-carboxylic acid

5-Fluoro-6-hydroxy-naphthalene-1-carboxylic acid

C11H7FO3 (206.0379)


   

2-[4-(trifluoromethyl)pyrimidin-2-yl]acetic acid

2-[4-(trifluoromethyl)pyrimidin-2-yl]acetic acid

C7H5F3N2O2 (206.0303)


   

3-Trifluoromethoxyphenylboronic acid

3-Trifluoromethoxyphenylboronic acid

C7H6BF3O3 (206.0362)


   

METHYL 6-[(TERT-BUTOXYCARBONYL)AMINO]NICOTINATE

METHYL 6-[(TERT-BUTOXYCARBONYL)AMINO]NICOTINATE

C10H7FN2S (206.0314)


   

4,6-DIHYDROXY-3-NITROQUINOLINE

4,6-DIHYDROXY-3-NITROQUINOLINE

C9H6N2O4 (206.0328)


   

4-Hydrazinobenzenesulfonic acid hemihydrate,

4-Hydrazinobenzenesulfonic acid hemihydrate,

C6H10N2O4S (206.0361)


   

1,4-Diaminebenzene sulfate

1,4-Diaminebenzene sulfate

C6H10N2O4S (206.0361)


   

3-Nitro-5-(trifluoromethyl)aniline

3-Nitro-5-(trifluoromethyl)aniline

C7H5F3N2O2 (206.0303)


   

4-Fluoro-3-(trifluoromethyl)acetophenone

4-Fluoro-3-(trifluoromethyl)acetophenone

C9H6F4O (206.0355)


   

1-METHYL-5-NITRO-ISATIN

1-METHYL-5-NITRO-ISATIN

C9H6N2O4 (206.0328)


   

pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid

pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid

C9H6N2O4 (206.0328)


   

4-(1H-Pyrazol-1-yl)benzoyl chloride

4-(1H-Pyrazol-1-yl)benzoyl chloride

C10H7ClN2O (206.0247)


   

2-CHLORO-6-PHENOXY PYRAZINE

2-CHLORO-6-PHENOXY PYRAZINE

C10H7ClN2O (206.0247)


   

1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE

1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE

C10H7ClN2O (206.0247)


   

2-Amino-4-(trifluoromethyl)nicotinic acid

2-Amino-4-(trifluoromethyl)nicotinic acid

C7H5F3N2O2 (206.0303)


   

2-methyl-5-nitro-isoindole-1,3-dione

2-methyl-5-nitro-isoindole-1,3-dione

C9H6N2O4 (206.0328)


   

(2-HYDROXY-3-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID

(2-HYDROXY-3-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID

C7H6BF3O3 (206.0362)


   

2-Amino-5-nitrobenzotrifluoride

2-Amino-5-nitrobenzotrifluoride

C7H5F3N2O2 (206.0303)


   

4-Amino-3-nitrobenzo trifluoride

4-Amino-3-nitrobenzo trifluoride

C7H5F3N2O2 (206.0303)


   

5,5,6,6,6-pentafluorohexanoic acid

5,5,6,6,6-pentafluorohexanoic acid

C6H7F5O2 (206.0366)


   

6-Quinoxalinecarboxylicacid, 1,2,3,4-tetrahydro-2,3-dioxo-

6-Quinoxalinecarboxylicacid, 1,2,3,4-tetrahydro-2,3-dioxo-

C9H6N2O4 (206.0328)


   

4-Nitro-1H-indole-2-carboxylic acid

4-Nitro-1H-indole-2-carboxylic acid

C9H6N2O4 (206.0328)


   

5,6,7,8-TETRAHYDRO-1,7-NAPHTHYRIDINE DIHYDROCHLORIDE

5,6,7,8-TETRAHYDRO-1,7-NAPHTHYRIDINE DIHYDROCHLORIDE

C8H12Cl2N2 (206.0377)


   

4-chloroquinoline-3-carboxamide

4-chloroquinoline-3-carboxamide

C10H7ClN2O (206.0247)


   

1-(2-Pyridinyl)cyclopropanamine dihydrochloride

1-(2-Pyridinyl)cyclopropanamine dihydrochloride

C8H12Cl2N2 (206.0377)


   

(4-chloronaphthalen-1-yl)boronic acid

(4-chloronaphthalen-1-yl)boronic acid

C10H8BClO2 (206.0306)


   

(5-Methyl-benzo(b)thiophen-3-yl)acetic acid

(5-Methyl-benzo(b)thiophen-3-yl)acetic acid

C11H10O2S (206.0401)


   

1h-indazole-3,6-dicarboxylic acid

1h-indazole-3,6-dicarboxylic acid

C9H6N2O4 (206.0328)


   

4-NITROINDOLE-3-CARBOXYLIC ACID

4-NITROINDOLE-3-CARBOXYLIC ACID

C9H6N2O4 (206.0328)


   

ETHYL BENZO[B]THIOPHENE-7-CARBOXYLATE

ETHYL BENZO[B]THIOPHENE-7-CARBOXYLATE

C11H10O2S (206.0401)


   

2,3-dihydro-1H-indol-5-amine,dihydrochloride

2,3-dihydro-1H-indol-5-amine,dihydrochloride

C8H12Cl2N2 (206.0377)


   

4-(3-Azetidinyl)pyridine dihydrochloride

4-(3-Azetidinyl)pyridine dihydrochloride

C8H12Cl2N2 (206.0377)


   

6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile

6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile

C10H4F2N2O (206.0292)


   

6-CHLORO-2-(PYRIDIN-2-YL)PYRIMIDIN-4-AMINE

6-CHLORO-2-(PYRIDIN-2-YL)PYRIMIDIN-4-AMINE

C9H7ClN4 (206.0359)


   

2-(BENZO[B]THIOPHEN-5-YL)-1,3-DIOXOLANE

2-(BENZO[B]THIOPHEN-5-YL)-1,3-DIOXOLANE

C11H10O2S (206.0401)


   

7-Methoxy-2-methyl-4H-thiochromen-4-one

7-Methoxy-2-methyl-4H-thiochromen-4-one

C11H10O2S (206.0401)


   

4-(4-Chlorophenyl)-2(1H)-pyrimidinone

4-(4-Chlorophenyl)-2(1H)-pyrimidinone

C10H7ClN2O (206.0247)


   

[4-Hydroxy-2-(trifluoromethyl)phenyl]boronic acid

[4-Hydroxy-2-(trifluoromethyl)phenyl]boronic acid

C7H6BF3O3 (206.0362)


   

2-Methyl-4-trifluoromethyl-pyrimidine-5-carboxylic acid

2-Methyl-4-trifluoromethyl-pyrimidine-5-carboxylic acid

C7H5F3N2O2 (206.0303)


   

2′-Fluoro-6′-(trifluoromethyl)acetophenone

2′-Fluoro-6′-(trifluoromethyl)acetophenone

C9H6F4O (206.0355)


   

4-(3-chloro-1H-pyridazin-6-ylidene)cyclohexa-2,5-dien-1-one

4-(3-chloro-1H-pyridazin-6-ylidene)cyclohexa-2,5-dien-1-one

C10H7ClN2O (206.0247)


   

2-Nitro-6-(trifluoromethyl)aniline

2-Nitro-6-(trifluoromethyl)aniline

C7H5F3N2O2 (206.0303)


   

1-(2-chloropyridin-3-yl)pyrrole-2-carbaldehyde

1-(2-chloropyridin-3-yl)pyrrole-2-carbaldehyde

C10H7ClN2O (206.0247)


   

4-(2-Chloropyridin-3-yl)pyrimidin-2-amine

4-(2-Chloropyridin-3-yl)pyrimidin-2-amine

C9H7ClN4 (206.0359)


   

3-CHLORO-4-(1H-IMIDAZOL-1-YL)BENZALDEHYDE

3-CHLORO-4-(1H-IMIDAZOL-1-YL)BENZALDEHYDE

C10H7ClN2O (206.0247)


   

2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid

2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid

C9H6N2O4 (206.0328)


   

3-(1-benzothiophen-2-yl)propanoic acid

3-(1-benzothiophen-2-yl)propanoic acid

C11H10O2S (206.0401)


   

3-methylthianaphthene-2-acetic acid

3-methylthianaphthene-2-acetic acid

C11H10O2S (206.0401)


   

2-Fluoro-4-(trifluoromethyl)acetophenone

2-Fluoro-4-(trifluoromethyl)acetophenone

C9H6F4O (206.0355)


   

4-Fluoro-2-(trifluoromethyl)acetophenone

4-Fluoro-2-(trifluoromethyl)acetophenone

C9H6F4O (206.0355)


   

5,7-DIFLUORO-4-HYDROXYQUINOLINE-3-CARBONITRILE

5,7-DIFLUORO-4-HYDROXYQUINOLINE-3-CARBONITRILE

C10H4F2N2O (206.0292)


   

2-CHLORO-4-(1H-IMIDAZOL-1-YL)BENZALDEHYDE

2-CHLORO-4-(1H-IMIDAZOL-1-YL)BENZALDEHYDE

C10H7ClN2O (206.0247)


   

2-Chloro-4-(1H-pyrazol-1-yl)benzaldehyde

2-Chloro-4-(1H-pyrazol-1-yl)benzaldehyde

C10H7ClN2O (206.0247)


   

(2-Fluoro-4-nitrophenyl)methanamine hydrochloride

(2-Fluoro-4-nitrophenyl)methanamine hydrochloride

C7H8ClFN2O2 (206.0258)


   

Benzo[b]thiophene-2-carboxylicacid, 3-methyl-, methyl ester

Benzo[b]thiophene-2-carboxylicacid, 3-methyl-, methyl ester

C11H10O2S (206.0401)


   

3-(4-chloro-phenyl)-1H-pyrazole-4-carbaldehyde

3-(4-chloro-phenyl)-1H-pyrazole-4-carbaldehyde

C10H7ClN2O (206.0247)


   

2-Amino-5-(trifluoromethyl)nicotinic acid

2-Amino-5-(trifluoromethyl)nicotinic acid

C7H5F3N2O2 (206.0303)


   

1,2-phenylenediamine sulfate

1,2-phenylenediamine sulfate

C6H10N2O4S (206.0361)


   

2-amino-6-(Trifluoromethyl)nicotinic acid

2-amino-6-(Trifluoromethyl)nicotinic acid

C7H5F3N2O2 (206.0303)


   

6-Nitro-1H-indole-4-carboxylic acid

6-Nitro-1H-indole-4-carboxylic acid

C9H6N2O4 (206.0328)


   

methyl 3-cyano-5-nitrobenzoate

methyl 3-cyano-5-nitrobenzoate

C9H6N2O4 (206.0328)


   

2-chloro-3-quinolinecarboxaldehyde oxime

2-chloro-3-quinolinecarboxaldehyde oxime

C10H7ClN2O (206.0247)


   

2-Fluoro-5-(trifluoromethyl)acetophenone

2-Fluoro-5-(trifluoromethyl)acetophenone

C9H6F4O (206.0355)


   

1H-Indole-3-carboxylicacid, 6-nitro-

1H-Indole-3-carboxylicacid, 6-nitro-

C9H6N2O4 (206.0328)


   

2-CHLOROMETHYLENE-MALONICACIDDIETHYLESTER

2-CHLOROMETHYLENE-MALONICACIDDIETHYLESTER

C8H11ClO4 (206.0346)


   

2,3-O-CARBONYL-ALPHA-D-MANNOPYRANOSE

2,3-O-CARBONYL-ALPHA-D-MANNOPYRANOSE

C7H10O7 (206.0427)


   

1H-pyrrolo[2,3-b]pyridine-2,3-dicarboxylic acid

1H-pyrrolo[2,3-b]pyridine-2,3-dicarboxylic acid

C9H6N2O4 (206.0328)


   

2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanone

2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanone

C9H6F4O (206.0355)


   

4-chloroquinoline-7-carboxamide

4-chloroquinoline-7-carboxamide

C10H7ClN2O (206.0247)


   

(Methyl 2-bromo-5-nitro-phenylacetate)

(Methyl 2-bromo-5-nitro-phenylacetate)

C7H11ClN2OS (206.0281)


   

[4-(bromomethyl)cyclohexyl]methanol

[4-(bromomethyl)cyclohexyl]methanol

C8H15BrO (206.0306)


   

1-PHENYL-1H-PYRAZOLE-5-CARBONYLCHLORIDE

1-PHENYL-1H-PYRAZOLE-5-CARBONYLCHLORIDE

C10H7ClN2O (206.0247)


   

(2,5-Dimethyl-3-furyl)(2-furyl)methanethione

(2,5-Dimethyl-3-furyl)(2-furyl)methanethione

C11H10O2S (206.0401)


   

5-(3-fluorophenyl)furan-2-carboxylic acid

5-(3-fluorophenyl)furan-2-carboxylic acid

C11H7FO3 (206.0379)


   

1-(2-bromoethyl)-4-methylpiperazine

1-(2-bromoethyl)-4-methylpiperazine

C7H15BrN2 (206.0419)


   

WR-1065

WR-1065

C5H16Cl2N2S (206.0411)


Amifostine thiol (WR-1065) dihydrochloride can protect normal tissues from the toxic effects of certain cancer agents and activate p53 through a JNK-dependent signaling pathway.

   

methyl 2-benzothiophen-3-ylacetate

methyl 2-benzothiophen-3-ylacetate

C11H10O2S (206.0401)


   

2-Butenedioic acid,2-chloro-, diethyl ester, (2Z)- (9CI)

2-Butenedioic acid,2-chloro-, diethyl ester, (2Z)- (9CI)

C8H11ClO4 (206.0346)


   

1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE

1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE

C10H7ClN2O (206.0247)


   

7-AMINO-6-CYANO-2-(METHYLTHIO)-1,2,4-TRIAZOLO(1,5-A)PYRIMIDINE

7-AMINO-6-CYANO-2-(METHYLTHIO)-1,2,4-TRIAZOLO(1,5-A)PYRIMIDINE

C7H6N6S (206.0375)


   

2-[5-(trifluoromethyl)pyrazin-2-yl]acetic acid

2-[5-(trifluoromethyl)pyrazin-2-yl]acetic acid

C7H5F3N2O2 (206.0303)


   

7-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

7-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

C11H10O2S (206.0401)


   

5-CARBOXY-2-NITROBENZYL CYANIDE

5-CARBOXY-2-NITROBENZYL CYANIDE

C9H6N2O4 (206.0328)


   
   

methyl 2-trifluoromethyl-4-pyrimidine carboxylate

methyl 2-trifluoromethyl-4-pyrimidine carboxylate

C7H5F3N2O2 (206.0303)


   

1-METHANESULFONYL-NAPHTHALENE

1-METHANESULFONYL-NAPHTHALENE

C11H10O2S (206.0401)


   

1,3-Benzenediamine sulfate (1:1)

1,3-Benzenediamine sulfate (1:1)

C6H10N2O4S (206.0361)


   

4-hydroxy-3-nitro-1H-quinolin-2-one

4-hydroxy-3-nitro-1H-quinolin-2-one

C9H6N2O4 (206.0328)


   

2-Nitro-5-(trifluoromethyl)aniline

2-Nitro-5-(trifluoromethyl)aniline

C7H5F3N2O2 (206.0303)


   

(6-chloro-2-naphthyl)boronic acid

(6-chloro-2-naphthyl)boronic acid

C10H8BClO2 (206.0306)


   

(3-(difluoromethoxy)-5-fluorophenyl)boronic acid

(3-(difluoromethoxy)-5-fluorophenyl)boronic acid

C7H6BF3O3 (206.0362)


   

2-Aminocarbonyl-5-nitrobenzofuran

2-Aminocarbonyl-5-nitrobenzofuran

C9H6N2O4 (206.0328)


   

3-(Trifluoromethyl)-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one

3-(Trifluoromethyl)-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one

C6H5F3N4O (206.0415)


   

MFCD12972304

MFCD12972304

C9H6N2O4 (206.0328)


   

3-fluoro-5-(trifluoromethyl)acetophenone

3-fluoro-5-(trifluoromethyl)acetophenone

C9H6F4O (206.0355)


   

1,3-DICHLORO-1,3-DIETHYLDIALUMINOXANE, 1 0 WT. SOLUTION IN TOLUENE

1,3-DICHLORO-1,3-DIETHYLDIALUMINOXANE, 1 0 WT. SOLUTION IN TOLUENE

C4H18Al2Cl2O (206.0365)


   

4-Methyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid

4-Methyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid

C7H5F3N2O2 (206.0303)


   

4-AMINO-2-(METHYLTHIO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE

4-AMINO-2-(METHYLTHIO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE

C7H6N6S (206.0375)


   

4-PHENOXY-6-CHLOROPYRIMIDINE

4-PHENOXY-6-CHLOROPYRIMIDINE

C10H7ClN2O (206.0247)


   

(2-HYDROXY-4-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID

(2-HYDROXY-4-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID

C7H6BF3O3 (206.0362)


   

3-Nitro-4-(trifluoromethyl)aniline

3-Nitro-4-(trifluoromethyl)aniline

C7H5F3N2O2 (206.0303)


   

5-(6-chloropyridin-3-yl)pyrazin-2-amine

5-(6-chloropyridin-3-yl)pyrazin-2-amine

C9H7ClN4 (206.0359)


   

2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone

2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone

C9H6F4O (206.0355)


   

2-(BENZO[B]THIOPHEN-4-YL)-1,3-DIOXOLANE

2-(BENZO[B]THIOPHEN-4-YL)-1,3-DIOXOLANE

C11H10O2S (206.0401)


   

6-chloro-5,6-dihydroimidazo[1,5-a]pyrido[3,2-e]pyrazine

6-chloro-5,6-dihydroimidazo[1,5-a]pyrido[3,2-e]pyrazine

C9H7ClN4 (206.0359)


   

4,6-dioxo-1,5-dihydro-1,5-naphthyridine-3-carboxylic acid

4,6-dioxo-1,5-dihydro-1,5-naphthyridine-3-carboxylic acid

C9H6N2O4 (206.0328)


   

Benzimidazole-5,6-Dicarboxylic Acid

Benzimidazole-5,6-Dicarboxylic Acid

C9H6N2O4 (206.0328)


   

1-(5-CHLORO-2-PYRIDINYL)-1H-PYRROLE-2-CARBALDEHYDE

1-(5-CHLORO-2-PYRIDINYL)-1H-PYRROLE-2-CARBALDEHYDE

C10H7ClN2O (206.0247)


   

[4-(Trifluoromethoxy)phenyl]boronic acid

[4-(Trifluoromethoxy)phenyl]boronic acid

C7H6BF3O3 (206.0362)


   

1,4-dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid

1,4-dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid

C9H6N2O4 (206.0328)


   

3-Fluoro-4-(trifluoromethyl)acetophenone

3-Fluoro-4-(trifluoromethyl)acetophenone

C9H6F4O (206.0355)


   

benzyl 2,2,2-trifluoroethyl sulfide

benzyl 2,2,2-trifluoroethyl sulfide

C9H9F3S (206.0377)


   

3-Chloro-6-phenoxypyridazine

3-Chloro-6-phenoxypyridazine

C10H7ClN2O (206.0247)


   

3,4-Diethoxy-1,2,5-thiadiazole 1,1-dioxide

3,4-Diethoxy-1,2,5-thiadiazole 1,1-dioxide

C6H10N2O4S (206.0361)


   

(2-Fluoro-5-nitrophenyl)methanamine hydrochloride

(2-Fluoro-5-nitrophenyl)methanamine hydrochloride

C7H8ClFN2O2 (206.0258)


   

1,2,3,4-Tetrahydrophthalazine dihydrochloride

1,2,3,4-Tetrahydrophthalazine dihydrochloride

C8H12Cl2N2 (206.0377)


   

7-Methyl-5-nitro-1H-indole-2,3-dione

7-Methyl-5-nitro-1H-indole-2,3-dione

C9H6N2O4 (206.0328)


   

4-Chloro-6-phenyl-3(2H)-pyridazinone

4-Chloro-6-phenyl-3(2H)-pyridazinone

C10H7ClN2O (206.0247)


   

3-Chloro-6-phenyl-4-pyridazinol

3-Chloro-6-phenyl-4-pyridazinol

C10H7ClN2O (206.0247)


   

m-PHENYLENEDIAMINE SULFATE

m-PHENYLENEDIAMINE SULFATE

C6H10N2O4S (206.0361)


   

(S)-2-Hydroxybutane-1,2,4-tricarboxylic acid

(S)-2-Hydroxybutane-1,2,4-tricarboxylic acid

C7H10O7 (206.0427)


   

1,3-Dinitro-5-nitroso-1,3,5-triazinane

1,3-Dinitro-5-nitroso-1,3,5-triazinane

C3H6N6O5 (206.04)


   

2-Chloro-4-(2-hydroxyphenyl)pyrimidine

2-Chloro-4-(2-hydroxyphenyl)pyrimidine

C10H7ClN2O (206.0247)


   

2-(2-Methylsulfanylethyl)-3-oxobutanedioic acid

2-(2-Methylsulfanylethyl)-3-oxobutanedioic acid

C7H10O5S (206.0249)


   

2-(2-Methylthioethyl)malate(2-)

2-(2-Methylthioethyl)malate(2-)

C7H10O5S-2 (206.0249)


   

3-(2-Methylsulfanyl)ethylmalate

3-(2-Methylsulfanyl)ethylmalate

C7H10O5S-2 (206.0249)


   

3-Hydroxy-3-Carboxy-Adipic Acid

3-Hydroxy-3-Carboxy-Adipic Acid

C7H10O7 (206.0427)


   

(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid

(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid

C7H10O7 (206.0427)


A 3-hydroxybutane-1,2,3-tricarboxylic acid which has (2S,3R) configuration.

   

(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid

(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid

C7H10O7 (206.0427)


   

(2S,3S)-2-methylcitric acid

(2S,3S)-2-methylcitric acid

C7H10O7 (206.0427)


The (2S,3S)-diastereomer of 2-methylcitric acid.

   

2-Methylcitric acid

2-Methylcitric acid

C7H10O7 (206.0427)


2-Methylcitric acid (Methylcitric acid) is an endogenous metabolite in the 2-methylcitric acid cycle. 2-Methylcitric acid accumulates in methylmalonic and propionic acidemias and acts as a marker metabolite. 2-Methylcitric acid markedly inhibits ADP-stimulated and uncoupled respiration in mitochondria supported by glutamate[1]. 2-Methylcitric acid (Methylcitric acid) is an endogenous metabolite in the 2-methylcitric acid cycle. 2-Methylcitric acid accumulates in methylmalonic and propionic acidemias and acts as a marker metabolite. 2-Methylcitric acid markedly inhibits ADP-stimulated and uncoupled respiration in mitochondria supported by glutamate[1]. 2-Methylcitric acid (Methylcitric acid) is an endogenous metabolite in the 2-methylcitric acid cycle. 2-Methylcitric acid accumulates in methylmalonic and propionic acidemias and acts as a marker metabolite. 2-Methylcitric acid markedly inhibits ADP-stimulated and uncoupled respiration in mitochondria supported by glutamate[1].

   

3-Hydroxybutane-1,2,3-tricarboxylic acid

3-Hydroxybutane-1,2,3-tricarboxylic acid

C7H10O7 (206.0427)


   

Homocitric acid

Homocitric acid

C7H10O7 (206.0427)


   

3-(Carboxymethyl)-3-hydroxypentanedioic acid

3-(Carboxymethyl)-3-hydroxypentanedioic acid

C7H10O7 (206.0427)


   

(2R,3S)-2-methylcitric acid

(2R,3S)-2-methylcitric acid

C7H10O7 (206.0427)


   

homoisocitric acid

homoisocitric acid

C7H10O7 (206.0427)


   

(-)-homoisocitric acid

(-)-homoisocitric acid

C7H10O7 (206.0427)


   

6-chloro-4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one

6-chloro-4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one

C8H11ClO4 (206.0346)


   

3-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-hydroxypropanoic acid

3-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-hydroxypropanoic acid

C7H10O7 (206.0427)


   

2- hydroxy- 1, 2, 3- propane tricarboxylic acid- 2- me ester

NA

C7H10O7 (206.0427)


{"Ingredient_id": "HBIN005714","Ingredient_name": "2- hydroxy- 1, 2, 3- propane tricarboxylic acid- 2- me ester","Alias": "NA","Ingredient_formula": "C7H10O7","Ingredient_Smile": "COC(=O)C(CC(=O)O)(CC(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41862","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(5z)-5-[(2z)-3-(methylsulfanyl)hex-2-en-4-yn-1-ylidene]furan-2-one

(5z)-5-[(2z)-3-(methylsulfanyl)hex-2-en-4-yn-1-ylidene]furan-2-one

C11H10O2S (206.0401)


   

5-methyl-4-(methylsulfanyl)chromen-2-one

5-methyl-4-(methylsulfanyl)chromen-2-one

C11H10O2S (206.0401)


   

6-[4-(methylsulfanyl)penta-1,2,3-trien-1-yl]pyran-2-one

6-[4-(methylsulfanyl)penta-1,2,3-trien-1-yl]pyran-2-one

C11H10O2S (206.0401)


   

4,5-dimethyl-3-sulfanylchromen-2-one

4,5-dimethyl-3-sulfanylchromen-2-one

C11H10O2S (206.0401)


   

5-[3-(methylsulfanyl)hex-2-en-4-yn-1-ylidene]furan-2-one

5-[3-(methylsulfanyl)hex-2-en-4-yn-1-ylidene]furan-2-one

C11H10O2S (206.0401)


   

(2r)-3-[(2s,3s,4r)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxypropanoic acid

(2r)-3-[(2s,3s,4r)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxypropanoic acid

C7H10O7 (206.0427)


   

(4r,5s,6r)-6-chloro-4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one

(4r,5s,6r)-6-chloro-4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one

C8H11ClO4 (206.0346)


   

(5z)-5-[(4e)-5-(methylsulfanyl)hex-4-en-2-yn-1-ylidene]furan-2-one

(5z)-5-[(4e)-5-(methylsulfanyl)hex-4-en-2-yn-1-ylidene]furan-2-one

C11H10O2S (206.0401)


   

methyl 3-[5-(prop-1-yn-1-yl)thiophen-2-yl]prop-2-enoate

methyl 3-[5-(prop-1-yn-1-yl)thiophen-2-yl]prop-2-enoate

C11H10O2S (206.0401)


   

(4s,5s,6r)-4-chloro-3-ethoxy-5,6-dihydroxycyclohex-2-en-1-one

(4s,5s,6r)-4-chloro-3-ethoxy-5,6-dihydroxycyclohex-2-en-1-one

C8H11ClO4 (206.0346)


   

(5z)-5-[3-(methylsulfanyl)hex-2-en-4-yn-1-ylidene]furan-2-one

(5z)-5-[3-(methylsulfanyl)hex-2-en-4-yn-1-ylidene]furan-2-one

C11H10O2S (206.0401)


   

(5z)-5-[(2e)-3-(methylsulfanyl)hex-2-en-4-yn-1-ylidene]furan-2-one

(5z)-5-[(2e)-3-(methylsulfanyl)hex-2-en-4-yn-1-ylidene]furan-2-one

C11H10O2S (206.0401)


   

5-[5-(methylsulfanyl)hex-4-en-2-yn-1-ylidene]furan-2-one

5-[5-(methylsulfanyl)hex-4-en-2-yn-1-ylidene]furan-2-one

C11H10O2S (206.0401)