Exact Mass: 252.0581

Exact Mass Matches: 252.0581

Found 136 metabolites which its exact mass value is equals to given mass value 252.0581, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine

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

C8H16N2O3S2 (252.0602)


   

Tretazicar

Tretazicar

C9H8N4O5 (252.0495)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent COVID info from PDB, Protein Data Bank D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

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).

   

Nigakinone

3,4-dihydroxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

C14H8N2O3 (252.0535)


Nigakinone is an alkaloid from the wood of Picrasma excelsa (Jamaican quassiawood

   

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)

   

Monoisoamyl 2,3-dimercaptosuccinate

4-(3-methylbutoxy)-4-oxo-2,3-disulfanylbutanoic acid

C9H16O4S2 (252.049)


   

Monoisoamyl dimercaptosuccinic acid

2-(3-Methylbutyl)-2,3-disulphanylbutanedioic acid

C9H16O4S2 (252.049)


   

Tretazicar

5-(Aziridin-1-yl)-2,4-dinitrobenzene-1-carboximidate

C9H8N4O5 (252.0495)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent COVID info from PDB, Protein Data Bank D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

4-(3-Methylbutoxy)-4-oxo-2,2-bis(sulfanyl)butanoic acid

4-(3-Methylbutoxy)-4-oxo-2,2-bis(sulphanyl)butanoic acid

C9H16O4S2 (252.049)


   

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.

   

8-Chlorogoniodiol

8-Chlorogoniodiol

C13H13ClO3 (252.0553)


   

Cladobotrin III

Cladobotrin III

C12H12O6 (252.0634)


   

Desmethyldiaportinol

Desmethyldiaportinol

C12H12O6 (252.0634)


   

1,1-OXYBIS(4-ISOCYANATOBENZENE)

1,1-OXYBIS(4-ISOCYANATOBENZENE)

C14H8N2O3 (252.0535)


   

Trimethyl trimellitate

Trimethyl trimellitate

C12H12O6 (252.0634)


   

2-[2-(2-Cyano-3-fluoroanilino)-2-oxoethoxy]acetic acid

2-[2-(2-Cyano-3-fluoroanilino)-2-oxoethoxy]acetic acid

C11H9FN2O4 (252.0546)


   

4,6-Bis(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

4,6-Bis(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

C14H8N2O3 (252.0535)


   

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)


   
   
   

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)


   

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)


   

ethyl 2-[(2-ethoxy-2-oxoethyl)sulfanylmethylsulfanyl]acetate

ethyl 2-[(2-ethoxy-2-oxoethyl)sulfanylmethylsulfanyl]acetate

C9H16O4S2 (252.049)


   

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)


   

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)


   

GERMANIUM(IV) ETHOXIDE

GERMANIUM(IV) ETHOXIDE

C8H20GeO4 (252.0582)


   

4-ACETOXYISOPHTHALIC ACID DIMETHYL ESTER

4-ACETOXYISOPHTHALIC ACID DIMETHYL ESTER

C12H12O6 (252.0634)


   

Ethyl 4-fluoro-7-nitro-1H-indole-2-carboxylate

Ethyl 4-fluoro-7-nitro-1H-indole-2-carboxylate

C11H9FN2O4 (252.0546)


   

1-(4-Chlorophenyl)-4-oxocyclohexanecarboxylic acid

1-(4-Chlorophenyl)-4-oxocyclohexanecarboxylic acid

C13H13ClO3 (252.0553)


   

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-Amino-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-acetamide

5-Amino-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-acetamide

C10H9FN4OS (252.0481)


   

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)


   

Pyrogallol, triacetate

Pyrogallol, triacetate

C12H12O6 (252.0634)


   

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)


   

5-Amino-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-acetamide

5-Amino-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-acetamide

C10H9FN4OS (252.0481)


   

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)


   

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)


   

(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)


   

methyl (Z)-5-chloro-3-hydroxy-2-methylidene-5-phenylpent-4-enoate

methyl (Z)-5-chloro-3-hydroxy-2-methylidene-5-phenylpent-4-enoate

C13H13ClO3 (252.0553)


   

trimethyl 1,2,3-benzenetricarboxylate

trimethyl 1,2,3-benzenetricarboxylate

C12H12O6 (252.0634)


   

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)


   

4,4-oxybis(phenyl isocyanate)

4,4-oxybis(phenyl isocyanate)

C14H8N2O3 (252.0535)


   

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.

   

6-(3-CHLOROPROPOXY)-4-METHYLCOUMARIN

6-(3-CHLOROPROPOXY)-4-METHYLCOUMARIN

C13H13ClO3 (252.0553)


   

1-(2-bromoprop-2-enyl)-4-tert-butylbenzene

1-(2-bromoprop-2-enyl)-4-tert-butylbenzene

C13H17Br (252.0514)


   

perdeuterio tetramethylthiuram disulfide

perdeuterio tetramethylthiuram disulfide

C6D12N2S4 (252.0637)


   

3-Bromopropoxy t-Butyl-Dimethylsilane

3-Bromopropoxy t-Butyl-Dimethylsilane

C9H21BrOSi (252.0545)


   

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)


   

1-(2-Chlorophenyl)-4-oxocyclohexanecarboxylic acid

1-(2-Chlorophenyl)-4-oxocyclohexanecarboxylic acid

C13H13ClO3 (252.0553)


   

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)


   

(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)


   

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.

   

6-(Carboxymethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

6-(Carboxymethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C8H12O9 (252.0481)


   

1-(Butylstannyl)butan-2-ol

1-(Butylstannyl)butan-2-ol

C8H20OSn (252.0536)


   

[4-(Hydroxyamino)-3-(4-nitrophenyl)-1,2-oxazol-5-yl]-oxidoazanium

[4-(Hydroxyamino)-3-(4-nitrophenyl)-1,2-oxazol-5-yl]-oxidoazanium

C9H8N4O5 (252.0495)


   

(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)


   

Silane, (dimethylphenylgermyl)trimethyl-

Silane, (dimethylphenylgermyl)trimethyl-

C11H20GeSi (252.0555)


   

Methionylcysteine

Methionylcysteine

C8H16N2O3S2 (252.0602)


   

Cysteinyl-Methionine

Cysteinyl-Methionine

C8H16N2O3S2 (252.0602)


   

6-(2-chloro-1-hydroxy-2-phenylethyl)-5,6-dihydropyran-2-one

6-(2-chloro-1-hydroxy-2-phenylethyl)-5,6-dihydropyran-2-one

C13H13ClO3 (252.0553)


   

(6r)-6-[(1r,2r)-2-chloro-1-hydroxy-2-phenylethyl]-5,6-dihydropyran-2-one

(6r)-6-[(1r,2r)-2-chloro-1-hydroxy-2-phenylethyl]-5,6-dihydropyran-2-one

C13H13ClO3 (252.0553)


   

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

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

C12H12O6 (252.0634)


   

8-chlorogoniodiol

NA

C13H13ClO3 (252.0553)


{"Ingredient_id": "HBIN013688","Ingredient_name": "8-chlorogoniodiol","Alias": "NA","Ingredient_formula": "C13H13ClO3","Ingredient_Smile": "C1C=CC(=O)OC1C(C(C2=CC=CC=C2)Cl)O","Ingredient_weight": "252.69 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3555","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10988787","DrugBank_id": "NA"}

   

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"}

   

9-hydroxycanthin-6-one 3-n-oxide

NA

C14H8N2O3 (252.0535)


{"Ingredient_id": "HBIN014119","Ingredient_name": "9-hydroxycanthin-6-one 3-n-oxide","Alias": "NA","Ingredient_formula": "C14H8N2O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9886","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)


   

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)


   

(6r)-6-[(1s,2r)-2-chloro-1-hydroxy-2-phenylethyl]-5,6-dihydropyran-2-one

(6r)-6-[(1s,2r)-2-chloro-1-hydroxy-2-phenylethyl]-5,6-dihydropyran-2-one

C13H13ClO3 (252.0553)


   

(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)