Exact Mass: 252.0661

Exact Mass Matches: 252.0661

Found 148 metabolites which its exact mass value is equals to given mass value 252.0661, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

5-Hydroxy-N-formylkynurenine

2-amino-4-(2-formamido-5-hydroxyphenyl)-4-oxobutanoic acid

C11H12N2O5 (252.0746)


5-Hydroxy-N-formylkynurenine is an intermediate in tryptophan metabolism. 5-Hydroxy-N-formylkynurenine is converted from 5-Hydroxy-L-tryptophan via the enzyme, indoleamine 2,3-dioxygenase [EC:1.13.11.52]. [HMDB] 5-Hydroxy-N-formylkynurenine is an intermediate in tryptophan metabolism. 5-Hydroxy-N-formylkynurenine is converted from 5-Hydroxy-L-tryptophan via the enzyme, indoleamine 2,3-dioxygenase [EC:1.13.11.52].

   

S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine

(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)butan-1-imine

C8H16N2O3S2 (252.0602)


   

2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid

3-Hydroxy-2-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}propanoic acid

C12H12O6 (252.0634)


2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid is found in cereals and cereal products. 2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid is a constituent of Eleusine coracana (finger millet). Constituent of Eleusine coracana (finger millet). 2-O-(E-p-Hydroxycinnamoyl)-(x)-glyceric acid is found in cereals and cereal products.

   

Cysteinyl-Methionine

2-[(2-Amino-1-hydroxy-3-sulphanylpropylidene)amino]-4-(methylsulphanyl)butanoic acid

C8H16N2O3S2 (252.0602)


Cysteinyl-Methionine is a dipeptide composed of cysteine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Methionyl-Cysteine

2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}-3-sulphanylpropanoic acid

C8H16N2O3S2 (252.0602)


Methionyl-Cysteine is a dipeptide composed of methionine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Hydroxyzileuton

1-hydroxy-1-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]urea

C11H12N2O3S (252.0569)


Hydroxyzileuton is only found in individuals that have used or taken Zileuton. Hydroxyzileuton is a metabolite of Zileuton. Hydroxyzileuton belongs to the family of Benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).

   

Zileuton sulfoxide

1-hydroxy-1-[1-(1-oxo-1λ⁴-benzothiophen-2-yl)ethyl]urea

C11H12N2O3S (252.0569)


Zileuton sulfoxide is only found in individuals that have used or taken Zileuton. Zileuton sulfoxide is a metabolite of Zileuton. Zileuton sulfoxide belongs to the family of Benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).

   

N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine

2-Amino-4-[(3,4-dioxocyclohexa-1,5-dien-1-yl)-C-hydroxycarbonimidoyl]butanoate

C11H12N2O5 (252.0746)


N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine is found in mushrooms. N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine is isolated from the mushroom Agaricus bisporus (button mushroom Isolated from the mushroom Agaricus bisporus (button mushroom). N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine is found in mushrooms.

   

Mono-(3-carboxypropyl) phthalate

2-[(3-carboxypropoxy)carbonyl]benzoic acid

C12H12O6 (252.0634)


Mono-(3-carboxypropyl) phthalate is also known as mono(3-carboxypropyl) phthalic acid. It is a non-specific metabolite of several phthalates, a metabolite of mono-n-butyl phthalate (MnBP), a secondary metabolite of di-n-butyl phthalate (DnBP), a metabolite of mono-n-octyl phthalate (MnOP), and a secondary metabolite of di-n-octyl phthalate (DnOP). It is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Mono(3-carboxypropyl) phthalate is considered to be slightly soluble (in water) and acidic. (ChemoSummarizer)

   

N-[1-(Hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide

N-[1-(Hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide

C11H12N2O5 (252.0746)


   

5-Ethynyl-2'-deoxyuridine

5-ethynyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

C11H12N2O5 (252.0746)


   

Tamarindienal

(3E)-2,5-dioxohex-3-enal; (3E)-5-hydroxy-2-oxohexa-3,5-dienal

C12H12O6 (252.0634)


Tamarindienal is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Tamarindienal can be found in tamarind, which makes tamarindienal a potential biomarker for the consumption of this food product.

   

Cladobotrin III

Cladobotrin III

C12H12O6 (252.0634)


   

Desmethyldiaportinol

Desmethyldiaportinol

C12H12O6 (252.0634)


   

Trimethyl trimellitate

Trimethyl trimellitate

C12H12O6 (252.0634)


   

Phloroglucinol triacetate

Phloroglucinol triacetate

C12H12O6 (252.0634)


   

1,2,4-Triacetoxybenzene

1,2,4-Triacetoxybenzene

C12H12O6 (252.0634)


   

(E)-4-methoxy-2-(3,4-dihydroxybenzylidene)-4-oxobutanoic acid|sissooic acid

(E)-4-methoxy-2-(3,4-dihydroxybenzylidene)-4-oxobutanoic acid|sissooic acid

C12H12O6 (252.0634)


   

carboxymethyl isoferulate

carboxymethyl isoferulate

C12H12O6 (252.0634)


   

Acremonone F

Acremonone F

C12H12O6 (252.0634)


   

1-Methyl-4-(4-methoxyphenyl)-4-hydroxy-5-thioxoimidazolidin-2-one

1-Methyl-4-(4-methoxyphenyl)-4-hydroxy-5-thioxoimidazolidin-2-one

C11H12N2O3S (252.0569)


   

CHEMBL465503

CHEMBL465503

C12H12O6 (252.0634)


   

triacetylphloroglucinol

triacetylphloroglucinol

C12H12O6 (252.0634)


   

2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy-

2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy-

C12H12O6 (252.0634)


   

2-carboxylic acid derivative of Oxamniquine

2-carboxylic acid derivative of Oxamniquine

C11H12N2O5 (252.0746)


   
   
   

Hydroxyzileuton

1-hydroxy-1-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]urea

C11H12N2O3S (252.0569)


   

Zileuton sulfoxide

1-hydroxy-1-[1-(1-oxo-1$l^{4}-benzothiophen-2-yl)ethyl]urea

C11H12N2O3S (252.0569)


   

Cys-met

2-[2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C8H16N2O3S2 (252.0602)


   

Met-cys

2-(2-amino-3-sulfanylpropanamido)-4-(methylsulfanyl)butanoic acid

C8H16N2O3S2 (252.0602)


   

MBP 1

5-hydroxy-6-pentanoyl-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

C11H12N2O3S (252.0569)


   

gamma-L-Glutaminyl-3,4-benzoquinone

2-amino-4-[(3,4-dioxocyclohexa-1,5-dien-1-yl)carbamoyl]butanoic acid

C11H12N2O5 (252.0746)


   

2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid

3-hydroxy-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid

C12H12O6 (252.0634)


   

(3,4,5-Trifluoro-4-biphenylyl)boronic acid

(3,4,5-Trifluoro-4-biphenylyl)boronic acid

C12H8BF3O2 (252.0569)


   

6-Chloro-1,2-dihydro-2-oxospiro[4H-3,1-benzoxazin-4,4-piperidine]

6-Chloro-1,2-dihydro-2-oxospiro[4H-3,1-benzoxazin-4,4-piperidine]

C12H13ClN2O2 (252.0666)


   

2-Thiazolamine,4,5-diphenyl-

2-Thiazolamine,4,5-diphenyl-

C15H12N2S (252.0721)


   

4-biphenyl-4-yl-thiazol-2-ylamine

4-biphenyl-4-yl-thiazol-2-ylamine

C15H12N2S (252.0721)


   

ethyl 4-acetamido-3-nitrobenzoate

ethyl 4-acetamido-3-nitrobenzoate

C11H12N2O5 (252.0746)


   

1,1,1,2,2,3,3-heptafluoronon-4-ene

1,1,1,2,2,3,3-heptafluoronon-4-ene

C9H11F7 (252.0749)


   

Glycine,N-(4-nitrobenzoyl)-, ethyl ester

Glycine,N-(4-nitrobenzoyl)-, ethyl ester

C11H12N2O5 (252.0746)


   

Ethyl 3-amino-4-methoxythieno[2,3-b]pyridine-2-carboxylate

Ethyl 3-amino-4-methoxythieno[2,3-b]pyridine-2-carboxylate

C11H12N2O3S (252.0569)


   

2,5-diphenylthiazol-4-amine

2,5-diphenylthiazol-4-amine

C15H12N2S (252.0721)


   

p-tolyl 2-(trimethylsilyl)ethynyl!

p-tolyl 2-(trimethylsilyl)ethynyl!

C12H16O2SSi (252.064)


   

4-AMINO-5-(3,5-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL

4-AMINO-5-(3,5-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL

C10H12N4O2S (252.0681)


   

3-(2-PHENYL-THIAZOL-4-YL)-PHENYLAMINE

3-(2-PHENYL-THIAZOL-4-YL)-PHENYLAMINE

C15H12N2S (252.0721)


   

GERMANIUM(IV) ETHOXIDE

GERMANIUM(IV) ETHOXIDE

C8H20GeO4 (252.0582)


   

4-ACETOXYISOPHTHALIC ACID DIMETHYL ESTER

4-ACETOXYISOPHTHALIC ACID DIMETHYL ESTER

C12H12O6 (252.0634)


   

1,2,3,4-Tetramethyl-1,2,3,4-cyclobutanetetracarboxylic Dianhydride

1,2,3,4-Tetramethyl-1,2,3,4-cyclobutanetetracarboxylic Dianhydride

C12H12O6 (252.0634)


   

4-(morpholinosulfonyl)benzonitrile

4-(morpholinosulfonyl)benzonitrile

C11H12N2O3S (252.0569)


   

2-(4-FLUOROPHENYL)PIPERAZINE 2HCL

2-(4-FLUOROPHENYL)PIPERAZINE 2HCL

C10H15Cl2FN2 (252.0596)


   

1-METHYL-4-(S-TRIFLUOROMETHYL-[1,3,4]THIODIAZOL-Z-YL)PIPERAZINE

1-METHYL-4-(S-TRIFLUOROMETHYL-[1,3,4]THIODIAZOL-Z-YL)PIPERAZINE

C8H11F3N4S (252.0656)


   

Ferrocene,(1-cyclopenten-1-yl)- (8CI,9CI)

Ferrocene,(1-cyclopenten-1-yl)- (8CI,9CI)

C15H16Fe (252.0601)


   

5-morpholino-2-nitrobenzenecarboxylic acid

5-morpholino-2-nitrobenzenecarboxylic acid

C11H12N2O5 (252.0746)


   

5-CHLORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

5-CHLORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C12H13ClN2O2 (252.0666)


   

2-MORPHOLINO-5-NITROBENZOIC ACID

2-MORPHOLINO-5-NITROBENZOIC ACID

C11H12N2O5 (252.0746)


   

Pyrogallol, triacetate

Pyrogallol, triacetate

C12H12O6 (252.0634)


   

5-Ethynyl-2-deoxyuridine

5-Ethynyl-2-deoxyuridine

C11H12N2O5 (252.0746)


   

3,4-DIACETOXYPHENYLACETIC ACID

3,4-DIACETOXYPHENYLACETIC ACID

C12H12O6 (252.0634)


   

trimethyl 1,2,4-benzenetricarboxylate

trimethyl 1,2,4-benzenetricarboxylate

C12H12O6 (252.0634)


   

2-Methoxyethyl 2-aminobenzo[d]thiazole-6-carboxylate

2-Methoxyethyl 2-aminobenzo[d]thiazole-6-carboxylate

C11H12N2O3S (252.0569)


   

9,10-dihydro-8H-naphtho[7,6-b][1]benzothiol-7-one

9,10-dihydro-8H-naphtho[7,6-b][1]benzothiol-7-one

C16H12OS (252.0609)


   

(-)-Benzotetramisole

(-)-Benzotetramisole

C15H12N2S (252.0721)


   

Trimethyl Trimesate

Trimethyl benzene-1,3,5-tricarboxylate

C12H12O6 (252.0634)


   

(2,3,5,6-TETRAFLUORO-4-PROPOXYPHENYL)BORONIC ACID

(2,3,5,6-TETRAFLUORO-4-PROPOXYPHENYL)BORONIC ACID

C9H9BF4O3 (252.0581)


   

(2,3,5,6-TETRAFLUORO-4-ISOPROPOXYPHENYL)BORONIC ACID

(2,3,5,6-TETRAFLUORO-4-ISOPROPOXYPHENYL)BORONIC ACID

C9H9BF4O3 (252.0581)


   

2-[3,5-bis(carboxymethyl)phenyl]acetic acid

2-[3,5-bis(carboxymethyl)phenyl]acetic acid

C12H12O6 (252.0634)


   
   

4,5-diphenyl-2-imidazolethiol

4,5-diphenyl-2-imidazolethiol

C15H12N2S (252.0721)


   

2-acetamido-3-(4-nitrophenyl)propanoic acid

2-acetamido-3-(4-nitrophenyl)propanoic acid

C11H12N2O5 (252.0746)


   

(R)-2-Acetamido-3-(4-nitrophenyl)propanoic acid

(R)-2-Acetamido-3-(4-nitrophenyl)propanoic acid

C11H12N2O5 (252.0746)


   

(5,6-DIHYDRO-4H-[1,3]THIAZIN-2-YL)-(2,5-DIMETHOXY-PHENYL)-AMINE

(5,6-DIHYDRO-4H-[1,3]THIAZIN-2-YL)-(2,5-DIMETHOXY-PHENYL)-AMINE

C11H12N2O3S (252.0569)


   

[1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol

[1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol

C11H12N2O3S (252.0569)


   

3-morpholin-4-ylsulfonylbenzonitrile

3-morpholin-4-ylsulfonylbenzonitrile

C11H12N2O3S (252.0569)


   

4-AMINO-5-(3,4-DIMETHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

4-AMINO-5-(3,4-DIMETHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

C10H12N4O2S (252.0681)


   

7-Acetamido-8-nitro-3,4-Dihydro-2H-1,5-benzodioxepine

7-Acetamido-8-nitro-3,4-Dihydro-2H-1,5-benzodioxepine

C11H12N2O5 (252.0746)


   

trimethyl 1,2,3-benzenetricarboxylate

trimethyl 1,2,3-benzenetricarboxylate

C12H12O6 (252.0634)


   

(+)-Benzotetramisole

(+)-Benzotetramisole

C15H12N2S (252.0721)


   

4-MORPHOLINO-3-NITROBENZOIC ACID

4-MORPHOLINO-3-NITROBENZOIC ACID

C11H12N2O5 (252.0746)


   

4-Chloro-6,7-diethoxyquinazoline

4-Chloro-6,7-diethoxyquinazoline

C12H13ClN2O2 (252.0666)


   

1-(3-chloropropyl)piperazine,hydrate,dihydrochloride

1-(3-chloropropyl)piperazine,hydrate,dihydrochloride

C7H19Cl3N2O (252.0563)


   

1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID,4-CHLORO-, 1,1-DIMETHYLETHYL ESTER

1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID,4-CHLORO-, 1,1-DIMETHYLETHYL ESTER

C12H13ClN2O2 (252.0666)


   

Mono(3-carboxypropyl) Phthalate

Mono(3-carboxypropyl) Phthalate

C12H12O6 (252.0634)


A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 4-hydroxybutyric acid.

   

N-(2,4-Difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(2,4-Difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C12H10F2N2O2 (252.071)


   

perdeuterio tetramethylthiuram disulfide

perdeuterio tetramethylthiuram disulfide

C6D12N2S4 (252.0637)


   

1,1,1,2-TETRAFLUORO-2-(TRIFLUOROMETHYL)OCT-3-ENE

1,1,1,2-TETRAFLUORO-2-(TRIFLUOROMETHYL)OCT-3-ENE

C9H11F7 (252.0749)


   

4-amino-n-furan-2-ylmethyl-benzenesulfonamide

4-amino-n-furan-2-ylmethyl-benzenesulfonamide

C11H12N2O3S (252.0569)


   

1-(4-Fluorophenyl)piperazinediium dichloride

1-(4-Fluorophenyl)piperazinediium dichloride

C10H15Cl2FN2 (252.0596)


   

Methyl 3,5-diacetoxybenzoate

Methyl 3,5-diacetoxybenzoate

C12H12O6 (252.0634)


   

Thieno[2,3-d]pyrimidine-6-carboxylicacid, 1,4-dihydro-2,5-dimethyl-4-oxo-, ethyl ester

Thieno[2,3-d]pyrimidine-6-carboxylicacid, 1,4-dihydro-2,5-dimethyl-4-oxo-, ethyl ester

C11H12N2O3S (252.0569)


   

1-(4-CHLOROPHENYL)-3-BUTEN-1-OL97

1-(4-CHLOROPHENYL)-3-BUTEN-1-OL97

C12H13ClN2O2 (252.0666)


   

4-Morpholin-4-yl-2-nitrobenzoic acid

4-Morpholin-4-yl-2-nitrobenzoic acid

C11H12N2O5 (252.0746)


   

5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol

5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol

C11H12N2O5 (252.0746)


   

2-Chloro-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanone

2-Chloro-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanone

C12H13ClN2O2 (252.0666)


   

(E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one

(E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one

C11H12N2O3S (252.0569)


   

L-Methionine, N-L-cysteinyl-

L-Methionine, N-L-cysteinyl-

C8H16N2O3S2 (252.0602)


   

4-(Acetylamino)-3-[(hydroxyacetyl)amino]benzoic acid

4-(Acetylamino)-3-[(hydroxyacetyl)amino]benzoic acid

C11H12N2O5 (252.0746)


   

(5r)-2-[(2-Fluorophenyl)amino]-5-(1-Methylethyl)-1,3-Thiazol-4(5h)-One

(5r)-2-[(2-Fluorophenyl)amino]-5-(1-Methylethyl)-1,3-Thiazol-4(5h)-One

C12H13FN2OS (252.0733)


   

(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)butan-1-imine

(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)butan-1-imine

C8H16N2O3S2 (252.0602)


   

4-(3-Hydroxyphenyl)-2,3-quinolinediol

4-(3-Hydroxyphenyl)-2,3-quinolinediol

C15H10NO3- (252.0661)


   

(R)-N-formyl-beta-hydroxy-L-kynurenine

(R)-N-formyl-beta-hydroxy-L-kynurenine

C11H12N2O5 (252.0746)


   

(2S,3R)-2-amino-4-(2-formamidophenyl)-3-hydroxy-4-oxobutanoic acid

(2S,3R)-2-amino-4-(2-formamidophenyl)-3-hydroxy-4-oxobutanoic acid

C11H12N2O5 (252.0746)


   

Tamarindienal

Tamarindienal

C12H12O6 (252.0634)


   

Caffeoylglycolic acid methyl ester

Caffeoylglycolic acid methyl ester

C12H12O6 (252.0634)


A cinnamate ester obtained by the condensation of trans-caffeic acid with methyl hydroxyacetate. It is isolated from the leaves of Parthenocissus tricuspidata and exhibits antioxidant activity.

   

5,7-Difluoro-6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

5,7-Difluoro-6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

C12H10F2N2O2 (252.071)


   

(2R)-2-acetamido-3-(phenylmethylthio)propanoate

(2R)-2-acetamido-3-(phenylmethylthio)propanoate

C12H14NO3S- (252.0694)


   

(Z)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-hydroxyprop-2-enal

(Z)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-hydroxyprop-2-enal

C12H12O6 (252.0634)


   

5-hydroxy-N-formyl-L-kynurenine

5-hydroxy-N-formyl-L-kynurenine

C11H12N2O5 (252.0746)


   

5-Hydroxy-N-formylkynurenine

5-Hydroxy-N-formylkynurenine

C11H12N2O5 (252.0746)


A non-proteinogenic alpha-amino acid that is 5-hydroxykynurenine bearing an N-formyl substituent.

   

Methionylcysteine

Methionylcysteine

C8H16N2O3S2 (252.0602)


   

Cysteinyl-Methionine

Cysteinyl-Methionine

C8H16N2O3S2 (252.0602)


   

N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine

N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine

C11H12N2O5 (252.0746)


   

N-acetyl-S-benzyl-L-cysteine(1-)

N-acetyl-S-benzyl-L-cysteine(1-)

C12H14NO3S (252.0694)


An S-substituted N-acetyl-L-cysteinate that is the conjugate base of N-acetyl-S-benzyl-L-cysteine resulting from the deprotonation of the carboxy group; major species at pH 7.3.

   

Hydroxy-N-formylkynurenine

Hydroxy-N-formylkynurenine

C11H12N2O5 (252.0746)


   

(2s)-2-[(3,4-dioxocyclohexa-1,5-dien-1-yl)amino]-4-(c-hydroxycarbonimidoyl)butanoic acid

(2s)-2-[(3,4-dioxocyclohexa-1,5-dien-1-yl)amino]-4-(c-hydroxycarbonimidoyl)butanoic acid

C11H12N2O5 (252.0746)


   

2-[(3,4-dihydroxyphenyl)methylidene]-4-methoxy-4-oxobutanoic acid

2-[(3,4-dihydroxyphenyl)methylidene]-4-methoxy-4-oxobutanoic acid

C12H12O6 (252.0634)


   

2-amino-4-{5-hydroxy-2-[(hydroxymethylidene)amino]phenyl}-4-oxobutanoic acid

2-amino-4-{5-hydroxy-2-[(hydroxymethylidene)amino]phenyl}-4-oxobutanoic acid

C11H12N2O5 (252.0746)


   

8-hydroxy-5,6,7-trimethoxycoumarin

NA

C12H12O6 (252.0634)


{"Ingredient_id": "HBIN013764","Ingredient_name": "8-hydroxy-5,6,7-trimethoxycoumarin","Alias": "NA","Ingredient_formula": "C12H12O6","Ingredient_Smile": "COC1=C(C(=C(C2=C1C=CC(=O)O2)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10785","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2e)-2-[(3,4-dihydroxyphenyl)methylidene]-4-methoxy-4-oxobutanoic acid

(2e)-2-[(3,4-dihydroxyphenyl)methylidene]-4-methoxy-4-oxobutanoic acid

C12H12O6 (252.0634)


   

4,6-dihydroxy-7-(hydroxymethyl)-3-(methoxymethyl)chromen-2-one

4,6-dihydroxy-7-(hydroxymethyl)-3-(methoxymethyl)chromen-2-one

C12H12O6 (252.0634)


   

methyl (2e)-3-(3-formyl-4-methoxy-5-methyl-6-oxopyran-2-yl)prop-2-enoate

methyl (2e)-3-(3-formyl-4-methoxy-5-methyl-6-oxopyran-2-yl)prop-2-enoate

C12H12O6 (252.0634)


   

(1r)-4-hydroxy-6-methoxy-1,7-dimethyl-3-oxo-2-benzofuran-1-carboxylic acid

(1r)-4-hydroxy-6-methoxy-1,7-dimethyl-3-oxo-2-benzofuran-1-carboxylic acid

C12H12O6 (252.0634)


   

methyl (3r,4s)-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate

methyl (3r,4s)-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate

C12H12O6 (252.0634)


   

methyl 7-hydroxy-3-(1-hydroxyethyl)-1-oxo-3h-2-benzofuran-4-carboxylate

methyl 7-hydroxy-3-(1-hydroxyethyl)-1-oxo-3h-2-benzofuran-4-carboxylate

C12H12O6 (252.0634)


   

(2r)-2-amino-3-{[(1z)-1-(hydroxyimino)-4-(methylsulfanyl)butyl]sulfanyl}propanoic acid

(2r)-2-amino-3-{[(1z)-1-(hydroxyimino)-4-(methylsulfanyl)butyl]sulfanyl}propanoic acid

C8H16N2O3S2 (252.0602)


   

5,6,8-trihydroxy-3-(2-hydroxypropyl)isochromen-1-one

5,6,8-trihydroxy-3-(2-hydroxypropyl)isochromen-1-one

C12H12O6 (252.0634)


   

3-[(3r)-7,8-dihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propanoic acid

3-[(3r)-7,8-dihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propanoic acid

C12H12O6 (252.0634)


   

2-[(3,4-dioxocyclohexa-1,5-dien-1-yl)amino]-4-(c-hydroxycarbonimidoyl)butanoic acid

2-[(3,4-dioxocyclohexa-1,5-dien-1-yl)amino]-4-(c-hydroxycarbonimidoyl)butanoic acid

C11H12N2O5 (252.0746)


   

6,8-dihydroxy-3-methoxy-3,7-dimethyl-2-benzopyran-1,4-dione

6,8-dihydroxy-3-methoxy-3,7-dimethyl-2-benzopyran-1,4-dione

C12H12O6 (252.0634)


   

6,8-dihydroxy-3,4-bis(hydroxymethyl)-5-methylisochromen-1-one

6,8-dihydroxy-3,4-bis(hydroxymethyl)-5-methylisochromen-1-one

C12H12O6 (252.0634)


   

(2z)-2-(acetyloxy)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

(2z)-2-(acetyloxy)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C12H12O6 (252.0634)


   

3,5-bis(acetyloxy)phenyl acetate

3,5-bis(acetyloxy)phenyl acetate

C12H12O6 (252.0634)


   

methyl (3r)-7-hydroxy-3-[(1r)-1-hydroxyethyl]-1-oxo-3h-2-benzofuran-4-carboxylate

methyl (3r)-7-hydroxy-3-[(1r)-1-hydroxyethyl]-1-oxo-3h-2-benzofuran-4-carboxylate

C12H12O6 (252.0634)


   

3,7-dimethoxy-6-methyl-1-oxo-3h-2-benzofuran-4-carboxylic acid

3,7-dimethoxy-6-methyl-1-oxo-3h-2-benzofuran-4-carboxylic acid

C12H12O6 (252.0634)


   

methyl 3-(3-formyl-4-methoxy-5-methyl-6-oxopyran-2-yl)prop-2-enoate

methyl 3-(3-formyl-4-methoxy-5-methyl-6-oxopyran-2-yl)prop-2-enoate

C12H12O6 (252.0634)


   

3-[(2r)-2,3-dihydroxypropyl]-6,8-dihydroxyisochromen-1-one

3-[(2r)-2,3-dihydroxypropyl]-6,8-dihydroxyisochromen-1-one

C12H12O6 (252.0634)


   

3-(2,3-dihydroxypropyl)-6,8-dihydroxyisochromen-1-one

3-(2,3-dihydroxypropyl)-6,8-dihydroxyisochromen-1-one

C12H12O6 (252.0634)


   

4-hydroxy-6-methoxy-1,7-dimethyl-3-oxo-2-benzofuran-1-carboxylic acid

4-hydroxy-6-methoxy-1,7-dimethyl-3-oxo-2-benzofuran-1-carboxylic acid

C12H12O6 (252.0634)


   

methyl 4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate

methyl 4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate

C12H12O6 (252.0634)


   

5,6,8-trihydroxy-3-[(2s)-2-hydroxypropyl]isochromen-1-one

5,6,8-trihydroxy-3-[(2s)-2-hydroxypropyl]isochromen-1-one

C12H12O6 (252.0634)


   

4-(1,2-dihydroxyethyl)-8-hydroxy-6-methoxyisochromen-1-one

4-(1,2-dihydroxyethyl)-8-hydroxy-6-methoxyisochromen-1-one

C12H12O6 (252.0634)


   

3-(7,8-dihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propanoic acid

3-(7,8-dihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propanoic acid

C12H12O6 (252.0634)


   

8-hydroxy-5,6,7-trimethoxychromen-2-one

8-hydroxy-5,6,7-trimethoxychromen-2-one

C12H12O6 (252.0634)


   

2,5-dihydroxy-5-(4-methoxyphenyl)-3-methylimidazole-4-thione

2,5-dihydroxy-5-(4-methoxyphenyl)-3-methylimidazole-4-thione

C11H12N2O3S (252.0569)


   

(5s)-2,5-dihydroxy-5-(4-methoxyphenyl)-3-methylimidazole-4-thione

(5s)-2,5-dihydroxy-5-(4-methoxyphenyl)-3-methylimidazole-4-thione

C11H12N2O3S (252.0569)


   

4-[(1r)-1,2-dihydroxyethyl]-8-hydroxy-6-methoxyisochromen-1-one

4-[(1r)-1,2-dihydroxyethyl]-8-hydroxy-6-methoxyisochromen-1-one

C12H12O6 (252.0634)


   

8-hydroxy-3,4-bis(hydroxymethyl)-6-methoxyisochromen-1-one

8-hydroxy-3,4-bis(hydroxymethyl)-6-methoxyisochromen-1-one

C12H12O6 (252.0634)