Exact Mass: 316.0695

Exact Mass Matches: 316.0695

Found 142 metabolites which its exact mass value is equals to given mass value 316.0695, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile

2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile

C20H13ClN2 (316.0767)


   

Cysteinyldopa

5-S-Cysteinyl-DOPA

C12H16N2O6S (316.0729)


   

cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate

cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate

C20H12O4 (316.0736)


   

cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate

cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate

C20H12O4 (316.0736)


   

4,5-Chrysenedicarboxylate

4,5-Chrysenedicarboxylate

C20H12O4 (316.0736)


   

2-S-cysteinyl-DOPA

(2R)-2-amino-3-({6-[(2S)-2-amino-2-carboxyethyl]-2,3-dihydroxyphenyl}sulfanyl)propanoic acid

C12H16N2O6S (316.0729)


2-S-cysteinyl-DOPA, also known as 2-S-Cysteinyl-3,4-dihydroxyphenylalanine or 2-S-Cysteinyldopa, is classified as a tyrosine or a Tyrosine derivative. Tyrosines are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 2-S-cysteinyl-DOPA is considered to be slightly soluble (in water) and acidic

   

4'-Hydroxyclobazam

7-chloro-5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione

C16H13ClN2O3 (316.0615)


4-Hydroxyclobazam is a metabolite of clobazam. Clobazam (marketed under the brand names Frisium, Urbanol and Onfi), is a drug which is a benzodiazepine derivative. It has been marketed as an anxiolytic since 1975 and an anticonvulsant since 1984. (Wikipedia)

   

5-S-Cysteinyl-D-dopa

2-amino-3-{[5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl]sulfanyl}propanoic acid

C12H16N2O6S (316.0729)


   

2,7-Difluoro-4-methoxyspiro[fluorene-9,5'-imidazolidine]-2',4'-dione

2,7-Difluoro-4-methoxyspiro-(9H-fluorene-9,4-imidazolidine)-2,5-dione

C16H10F2N2O3 (316.0659)


   

4-(4-Fluorobenzyl)-2-p-tolyl-1,2,4-thiadiazolidine-3,5-dione

4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione

C16H13FN2O2S (316.0682)


   

Ginnalin B

(3,4,5-Trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoic acid

C13H16O9 (316.0794)


   

Protocatechuic acid 4-glucoside

Protocatechuic acid 4-glucoside

C13H16O9 (316.0794)


Protocatechuic acid 4-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Protocatechuic acid 4-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Protocatechuic acid 4-glucoside can be found in a number of food items such as rosemary, jostaberry, rubus (blackberry, raspberry), and highbush blueberry, which makes protocatechuic acid 4-glucoside a potential biomarker for the consumption of these food products.

   

Palmarumycin CP(1)

Palmarumycin CP(1)

C20H12O4 (316.0736)


   

5-(1,2-Diacetoxyethyl)-2-(E)-hept-5-ene-1,3-diynylthiophene

5-(1,2-Diacetoxyethyl)-2-(E)-hept-5-ene-1,3-diynylthiophene

C17H16O4S (316.0769)


   

Protocatechuic acid 4-O-beta-glucoside

4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid

C13H16O9 (316.0794)


   
   

Maybridge4_002179

Maybridge4_002179

C14H12N4O3S (316.063)


   

Maybridge3_005261

Maybridge3_005261

C14H9F5N2O (316.0635)


   
   

4-(4-sulfophenyl)heptanedioic acid

4-(4-sulfophenyl)heptanedioic acid

C13H16O7S (316.0617)


   

Benzoic acid + 2O, O-Hex

Benzoic acid + 2O, O-Hex

C13H16O9 (316.0794)


Annotation level-3

   

1-O-(2,5-Dihydroxy-benzoyl)-beta-D-glucopyranose|O1-Gentisoyl-beta-D-glucopyranose

1-O-(2,5-Dihydroxy-benzoyl)-beta-D-glucopyranose|O1-Gentisoyl-beta-D-glucopyranose

C13H16O9 (316.0794)


   

CHEMBL3589047

CHEMBL3589047

C20H12O4 (316.0736)


   

2,5-dihydroxybenzoate 2-O-beta-D-glucoside

2,5-dihydroxybenzoate 2-O-beta-D-glucoside

C13H16O9 (316.0794)


   

1-O-galloyl proto-quercitol

1-O-galloyl proto-quercitol

C13H16O9 (316.0794)


   

2-O-(3,4,5-Trihydroxybenzoyl)-scyllo-Quercitol|2-O-galloyl-scyllo-quercitol

2-O-(3,4,5-Trihydroxybenzoyl)-scyllo-Quercitol|2-O-galloyl-scyllo-quercitol

C13H16O9 (316.0794)


   

Bungeiside B

Bungeiside B

C13H16O9 (316.0794)


   

3-O-galloyl proto-quercitol

3-O-galloyl proto-quercitol

C13H16O9 (316.0794)


   

protocatechuic acid 3-O-beta-D-glucopyranoside|protocatechuic acid 3-O-beta-D-glucopyranoside|protocatechuic acid-3-glucoside

protocatechuic acid 3-O-beta-D-glucopyranoside|protocatechuic acid 3-O-beta-D-glucopyranoside|protocatechuic acid-3-glucoside

C13H16O9 (316.0794)


   

2-Tosyl-alpha-D-1,6-Anhydrogalactofuranose

2-Tosyl-alpha-D-1,6-Anhydrogalactofuranose

C13H16O7S (316.0617)


   

SCHEMBL15394645

SCHEMBL15394645

C13H16O9 (316.0794)


   

SCHEMBL15394748

SCHEMBL15394748

C13H16O9 (316.0794)


   

2-(beta-D-glucopyranosyloxy)-3-hydroxybenzoic acid|2-(beta-D-glucopyranosyloxy)-6-hydroxy benzoic acid

2-(beta-D-glucopyranosyloxy)-3-hydroxybenzoic acid|2-(beta-D-glucopyranosyloxy)-6-hydroxy benzoic acid

C13H16O9 (316.0794)


   

SCHEMBL4545360

SCHEMBL4545360

C13H16O9 (316.0794)


   

SCHEMBL4545325

SCHEMBL4545325

C13H16O9 (316.0794)


   

4-O-beta-D-Glucopyranoside-3,4,5-Trihydroxybenzaldehyde

4-O-beta-D-Glucopyranoside-3,4,5-Trihydroxybenzaldehyde

C13H16O9 (316.0794)


   

6-O-(3,4-dihydroxybenzoyl)-D-glucopyranose

6-O-(3,4-dihydroxybenzoyl)-D-glucopyranose

C13H16O9 (316.0794)


   

SCHEMBL14365676

SCHEMBL14365676

C13H16O9 (316.0794)


   

5-Tosyl-alpha-D-1,6-Anhydrogalactofuranose

5-Tosyl-alpha-D-1,6-Anhydrogalactofuranose

C13H16O7S (316.0617)


   
   

(-)-xanthienopyran|xanthienopyran

(-)-xanthienopyran|xanthienopyran

C17H16O4S (316.0769)


   

3-Tosyl-alpha-D-1,6-Anhydrogalactofuranose

3-Tosyl-alpha-D-1,6-Anhydrogalactofuranose

C13H16O7S (316.0617)


   

SPA-5DC (TENTATIVE)

SPA-5DC (TENTATIVE)

C13H16O7S (316.0617)


TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from HAL_N: mz315_05_rt4_87_HCD60_SPA-5DC; CONFIDENCE Tentative identification: isomers possible (Level 3)

   
   
   

3-Aminophenol hemisulfate

3-Aminophenol hemisulfate

C12H16N2O6S (316.0729)


   

4-AMINO-1-N-BOC-5,7-DICHLORO-1,2,3,4-TETRAHYDROQUINOLINE

4-AMINO-1-N-BOC-5,7-DICHLORO-1,2,3,4-TETRAHYDROQUINOLINE

C14H18Cl2N2O2 (316.0745)


   

2-Aminophenol hemisulfate

2-Aminophenol hemisulfate

C12H16N2O6S (316.0729)


   

4-Amino-2,6-dinitrotoluene

4-Amino-2,6-dinitrotoluene

C15H12N2O6 (316.0695)


   

Tri(3-fluorophenyl)phosphine

Tri(3-fluorophenyl)phosphine

C18H12F3P (316.0629)


   

2-PIVALOYLAMINO-6-PICOLINE

2-PIVALOYLAMINO-6-PICOLINE

C12H17Cl2F3N2 (316.0721)


   
   

1,6-Anhydro-4-O-p-toluenesulfonyl-β-D-glucopyranose

1,6-Anhydro-4-O-p-toluenesulfonyl-β-D-glucopyranose

C13H16O7S (316.0617)


   

Ethyl 2-(1,3-benzothiazol-2-ylamino)-6-oxo-1,6-dihydro-5-pyrimidi necarboxylate

Ethyl 2-(1,3-benzothiazol-2-ylamino)-6-oxo-1,6-dihydro-5-pyrimidi necarboxylate

C14H12N4O3S (316.063)


   

2-Chloro-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide

2-Chloro-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide

C13H17ClN2O3S (316.0648)


   

Z-2-AMINO-4-SULFAMOYLBUTYRIC ACID

Z-2-AMINO-4-SULFAMOYLBUTYRIC ACID

C12H16N2O6S (316.0729)


   

3,3-Dimethoxybenzidine dihydrochloride

3,3-Dimethoxybenzidine dihydrochloride

C14H18Cl2N2O2 (316.0745)


   

5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid

5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid

C17H16O4S (316.0769)


   

1,4,7,10-Tetraazacyclododecane tetrahydrochloride

1,4,7,10-Tetraazacyclododecane tetrahydrochloride

C8H24Cl4N4 (316.0755)


   

tri(4-fluorophenyl)phosphine

tri(4-fluorophenyl)phosphine

C18H12F3P (316.0629)


   

(1-Tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid

(1-Tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid

C14H13BN2O4S (316.0689)


   

(R)-(-)-1-CYCLOHEXYLETHYLISOTHIOCYANATE

(R)-(-)-1-CYCLOHEXYLETHYLISOTHIOCYANATE

C15H12N2O6 (316.0695)


   

Methyl-2-C-(trifluoromethyl)-alpha-D-ribofuranoside-3,5-diacetate

Methyl-2-C-(trifluoromethyl)-alpha-D-ribofuranoside-3,5-diacetate

C11H15F3O7 (316.077)


   

2-Chloro-4-(naphthalen-1-yl)-6-phenyl-pyrimidine

2-Chloro-4-(naphthalen-1-yl)-6-phenyl-pyrimidine

C20H13ClN2 (316.0767)


   

2-(1-benzofuran-3-yl)ethyl 4-methylbenzenesulfonate

2-(1-benzofuran-3-yl)ethyl 4-methylbenzenesulfonate

C17H16O4S (316.0769)


   

5-(beta-D-glucopyranosyloxy)-2-hydroxybenzoic acid

5-(beta-D-glucopyranosyloxy)-2-hydroxybenzoic acid

C13H16O9 (316.0794)


   

2-(beta-D-glucopyranosyloxy)-5-hydroxybenzoic acid

2-(beta-D-glucopyranosyloxy)-5-hydroxybenzoic acid

C13H16O9 (316.0794)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

Spiro(9H-fluorene-9,4-imidazolidine)-2,5-dione, 2,7-difluoro-4-methoxy-

Spiro(9H-fluorene-9,4-imidazolidine)-2,5-dione, 2,7-difluoro-4-methoxy-

C16H10F2N2O3 (316.0659)


   

(4aR,5S,8R)-9-(pyridin-3-yl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one

(4aR,5S,8R)-9-(pyridin-3-yl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one

C16H16N2OS2 (316.0704)


   

2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide

2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide

C16H13ClN2O3 (316.0615)


   

2-Chloro-3-pyridinecarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester

2-Chloro-3-pyridinecarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester

C16H13ClN2O3 (316.0615)


   

N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide

N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide

C14H12N4O3S (316.063)


   

(2R,3R,4R)-1-[(2R)-2,4-dihydroxy-3-(trioxido-lambda4-sulfanyl)oxybutyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol

(2R,3R,4R)-1-[(2R)-2,4-dihydroxy-3-(trioxido-lambda4-sulfanyl)oxybutyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol

C9H18NO9S-3 (316.0702)


   

Protocatechuic acid 3-glucoside

Protocatechuic acid 3-glucoside

C13H16O9 (316.0794)


   

5-S-Cysteinyldopa

5-S-Cysteinyldopa

C12H16N2O6S (316.0729)


   

(2S)-2-azaniumyl-3-[2-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl-3,4-dihydroxyphenyl]propanoate

(2S)-2-azaniumyl-3-[2-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl-3,4-dihydroxyphenyl]propanoate

C12H16N2O6S (316.0729)


   

Protocatechuic acid 4-O-glucoside

Protocatechuic acid 4-O-glucoside

C13H16O9 (316.0794)


   

N-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide

N-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide

C13H17ClN2O3S (316.0648)


   

2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid

2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid

C13H16O9 (316.0794)


   

N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamide

N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamide

C14H12N4O3S (316.063)


   

(4-Methyl-1-piperazinyl)-(2-thieno[3,2-b][1]benzothiolyl)methanone

(4-Methyl-1-piperazinyl)-(2-thieno[3,2-b][1]benzothiolyl)methanone

C16H16N2OS2 (316.0704)


   

N-[(5-fluoro-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide

N-[(5-fluoro-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide

C16H13FN2O2S (316.0682)


   

N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]acetamide

N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]acetamide

C16H13ClN2O3 (316.0615)


   

1-O-(3,4-Dihydroxybenzoyl)-beta-D-glucopyranose

1-O-(3,4-Dihydroxybenzoyl)-beta-D-glucopyranose

C13H16O9 (316.0794)


   

Protocatechuic acid 4-glucoside

Protocatechuic acid 4-glucoside

C13H16O9 (316.0794)


   

2-Amino-7-methyl-4-phenyl-thieno[2,3-b;4,5-b]dipyridine-3-carbonitrile

2-Amino-7-methyl-4-phenyl-thieno[2,3-b;4,5-b]dipyridine-3-carbonitrile

C18H12N4S (316.0783)


   

3-Ethyl-5-(1-ethyl-1H-quinolin-2-ylidene)-2-thioxo-thiazolidin-4-one

3-Ethyl-5-(1-ethyl-1H-quinolin-2-ylidene)-2-thioxo-thiazolidin-4-one

C16H16N2OS2 (316.0704)


   

4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one

4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one

C14H12N4O3S (316.063)


   

4-[1-[(3-Chlorophenyl)methylamino]ethylidene]-2-(2-furanyl)-5-oxazolone

4-[1-[(3-Chlorophenyl)methylamino]ethylidene]-2-(2-furanyl)-5-oxazolone

C16H13ClN2O3 (316.0615)


   

4,10-Dihydroxyperylene-3,9-dione

4,10-Dihydroxyperylene-3,9-dione

C20H12O4 (316.0736)


   

N-(6-butyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide

N-(6-butyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide

C16H16N2OS2 (316.0704)


   
   

3,4,5-Trihydroxy-6-(2-hydroxy-6-methoxyphenoxy)oxane-2-carboxylic acid

3,4,5-Trihydroxy-6-(2-hydroxy-6-methoxyphenoxy)oxane-2-carboxylic acid

C13H16O9 (316.0794)


   

3,4,5-Trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid

3,4,5-Trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid

C13H16O9 (316.0794)


   

2,5-dihydroxybenzoic acid 5-O-beta-D-glucoside

2,5-dihydroxybenzoic acid 5-O-beta-D-glucoside

C13H16O9 (316.0794)


A monohydroxybenzoic acid that is 2,5-dihydroxybenzoic acid in which the phenolic hydrogen at position 5 has been replaced by a beta-D-glucosyl residue.

   

2-S-cysteinyl-DOPA

2-S-cysteinyl-DOPA

C12H16N2O6S (316.0729)


An L-tyrosine derivative that is L-DOPA in which the hydrogen at position 2 on the phenyl ring is replaced by a cysteinyl group. Found in the urine of patients with melanoma.

   

2,5-dihydroxybenzoic acid 2-O-beta-D-glucoside

2,5-dihydroxybenzoic acid 2-O-beta-D-glucoside

C13H16O9 (316.0794)


A monohydroxybenzoic acid that is 2,5-dihydroxybenzoic acid in which the phenolic hydrogen at position 2 has been replaced by a beta-D-glucosyl residue.

   

2-Amino-3-[[5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl]thio]propionic acid

2-Amino-3-[[5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl]thio]propionic acid

C12H16N2O6S (316.0729)


   

McN-A-343

McN-A-343

C14H18Cl2N2O2 (316.0745)


McN-A-343 is a selective M1 muscarinic agonist that stimulates muscarinic transmission in sympathetic ganglia. McN-A-343 reduces inflammation and oxidative stress in an experimental model of ulcerative colitis[1][2]. McN-A-343 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

   

5-hydroxy-2-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

5-hydroxy-2-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C13H16O9 (316.0794)


   

(2s,3r,5r,6s)-2,3,5,6-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate

(2s,3r,5r,6s)-2,3,5,6-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate

C13H16O9 (316.0794)


   

[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C13H16O9 (316.0794)


   

2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C13H16O9 (316.0794)


   

(1r)-2-(acetyloxy)-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate

(1r)-2-(acetyloxy)-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate

C17H16O4S (316.0769)


   

2-hydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

2-hydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C13H16O9 (316.0794)


   

1-o-galloyl-α-l-rhamnose

NA

C13H16O9 (316.0794)


{"Ingredient_id": "HBIN002908","Ingredient_name": "1-o-galloyl-\u03b1-l-rhamnose","Alias": "NA","Ingredient_formula": "C13H16O9","Ingredient_Smile": "CC1C(C(C(C(O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8117","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4,9-dihydroxy-3a,3a¹-dihydroperylene-3,10-dione

4,9-dihydroxy-3a,3a¹-dihydroperylene-3,10-dione

C20H12O4 (316.0736)


   

(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 3,4,5-trihydroxybenzoate

(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 3,4,5-trihydroxybenzoate

C13H16O9 (316.0794)


   

3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C13H16O9 (316.0794)


   

4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C13H16O9 (316.0794)


   

(3as,3a¹s)-4,9-dihydroxy-3a,3a¹-dihydroperylene-3,10-dione

(3as,3a¹s)-4,9-dihydroxy-3a,3a¹-dihydroperylene-3,10-dione

C20H12O4 (316.0736)


   

2-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

2-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C13H16O9 (316.0794)


   

1,3-dimethyl 2-[2-hydroxy-2-(3-methoxy-3-oxopropyl)-5-oxooxolan-3-ylidene]propanedioate

1,3-dimethyl 2-[2-hydroxy-2-(3-methoxy-3-oxopropyl)-5-oxooxolan-3-ylidene]propanedioate

C13H16O9 (316.0794)


   

(2r,3r,4r,5s)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl 3,4,5-trihydroxybenzoate

(2r,3r,4r,5s)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl 3,4,5-trihydroxybenzoate

C13H16O9 (316.0794)


   

[(2r,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C13H16O9 (316.0794)


   

9-hydroxy-12-(6-hydroxyhexa-1,3-dien-1-yl)-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one

9-hydroxy-12-(6-hydroxyhexa-1,3-dien-1-yl)-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one

C17H16O4S (316.0769)


   

2-(acetyloxy)-2-[5-(hept-5-en-1,3-diyn-1-yl)thiophen-2-yl]ethyl acetate

2-(acetyloxy)-2-[5-(hept-5-en-1,3-diyn-1-yl)thiophen-2-yl]ethyl acetate

C17H16O4S (316.0769)


   

(1s)-2-(acetyloxy)-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate

(1s)-2-(acetyloxy)-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate

C17H16O4S (316.0769)


   

4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C13H16O9 (316.0794)


   

9-hydroxy-12-[(1z,3e)-6-hydroxyhexa-1,3-dien-1-yl]-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one

9-hydroxy-12-[(1z,3e)-6-hydroxyhexa-1,3-dien-1-yl]-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one

C17H16O4S (316.0769)


   

3,4,5-trihydroxy-6-methyloxan-2-yl 3,4,5-trihydroxybenzoate

3,4,5-trihydroxy-6-methyloxan-2-yl 3,4,5-trihydroxybenzoate

C13H16O9 (316.0794)


   

2-(acetyloxy)-2-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate

2-(acetyloxy)-2-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate

C17H16O4S (316.0769)


   

(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 3,4-dihydroxybenzoate

(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 3,4-dihydroxybenzoate

C13H16O9 (316.0794)


   

3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C13H16O9 (316.0794)


   

2-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

2-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C13H16O9 (316.0794)


   

5-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

5-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C13H16O9 (316.0794)


   

9-hydroxy-12-[(1z,3z)-6-hydroxyhexa-1,3-dien-1-yl]-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one

9-hydroxy-12-[(1z,3z)-6-hydroxyhexa-1,3-dien-1-yl]-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one

C17H16O4S (316.0769)


   

(1r,2r,3r,4s,5r)-2,3,4,5-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate

(1r,2r,3r,4s,5r)-2,3,4,5-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate

C13H16O9 (316.0794)


   

2,3,4,5-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate

2,3,4,5-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate

C13H16O9 (316.0794)


   

2,3,4,6-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate

2,3,4,6-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate

C13H16O9 (316.0794)


   

2-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

2-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C13H16O9 (316.0794)


   

(1s,2s,3r,4s,6r)-2,3,4,6-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate

(1s,2s,3r,4s,6r)-2,3,4,6-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate

C13H16O9 (316.0794)


   

5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C13H16O9 (316.0794)


   

(3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

(3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

C13H16O9 (316.0794)


   

10-hydroxy-14-methoxy-8-oxapentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2(7),3,5,9(19),10,12(20),13,16-nonaen-15-one

10-hydroxy-14-methoxy-8-oxapentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2(7),3,5,9(19),10,12(20),13,16-nonaen-15-one

C20H12O4 (316.0736)


   

2,3,5,6-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate

2,3,5,6-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate

C13H16O9 (316.0794)


   

[(2r,3s,4s,5r,6s)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate

[(2r,3s,4s,5r,6s)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate

C13H16O9 (316.0794)


   

(12s)-9-hydroxy-12-[(1e,3e)-6-hydroxyhexa-1,3-dien-1-yl]-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one

(12s)-9-hydroxy-12-[(1e,3e)-6-hydroxyhexa-1,3-dien-1-yl]-4-methyl-11-oxa-3-thiatricyclo[6.4.0.0²,⁶]dodeca-1,4,6,8-tetraen-10-one

C17H16O4S (316.0769)


   

(2r,3s,4r,5s)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

(2r,3s,4r,5s)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

C13H16O9 (316.0794)


   

2-hydroxy-5-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

2-hydroxy-5-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C13H16O9 (316.0794)


   

5-hydroxy-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-4-one

5-hydroxy-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-4-one

C20H12O4 (316.0736)