Exact Mass: 328.0783738

Exact Mass Matches: 328.0783738

Found 91 metabolites which its exact mass value is equals to given mass value 328.0783738, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Bergenin

NCGC00346587-02_C14H16O9_Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, (2R,3S,4S,4aR,10bS)-

C14H16O9 (328.0794286)


Bergenin is a trihydroxybenzoic acid. It has a role as a metabolite. Bergenin is a natural product found in Ficus racemosa, Ardisia paniculata, and other organisms with data available. A natural product found in Cenostigma gardnerianum. C26170 - Protective Agent > C275 - Antioxidant Annotation level-1 Bergenin is a cytoprotective and antioxidative polyphenol found in many medicinal plants. Bergenin has a wide spectrum activities such as hepatoprotective, antiinflammatory, immunomodulatory, antitumor, antiviral, and antifungal properties[1][2]. Bergenin is a cytoprotective and antioxidative polyphenol found in many medicinal plants. Bergenin has a wide spectrum activities such as hepatoprotective, antiinflammatory, immunomodulatory, antitumor, antiviral, and antifungal properties[1][2].

   

SEPHCHC

2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate; 5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate; SEPHCHC

C14H16O9 (328.0794286)


   
   

(E)-2-Methylgeranyl diphosphate

(E)-2-Methylgeranyl diphosphate

C11H22O7P2 (328.0840722)


   

3,4,5-trihydroxy-6-(2-methoxybenzoyloxy)oxane-2-carboxylic acid

3,4,5-trihydroxy-6-(2-methoxybenzoyloxy)oxane-2-carboxylic acid

C14H16O9 (328.0794286)


   

3,4,5-trihydroxy-6-(4-methoxybenzoyloxy)oxane-2-carboxylic acid

3,4,5-trihydroxy-6-(4-methoxybenzoyloxy)oxane-2-carboxylic acid

C14H16O9 (328.0794286)


   

6-Sulfatoxymelatonin

N-{2-[5-methoxy-6-(sulphooxy)-1H-indol-3-yl]ethyl}ethanimidic acid

C13H16N2O6S (328.0729036)


6-sulfatoxymelatonin belongs to the family of Serotonins. These are compounds containing a serotonin moiety, which conists of an indole that bears an aminoethyl a position 2 and an hydroxyl group at position 5. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C14H16O9 (328.0794286)


6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3-hydroxyphenyl)acetic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.

   

6-[4-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[4-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C14H16O9 (328.0794286)


6-[4-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(4-hydroxyphenyl)acetic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.

   

Vanillin glucuronide

(2S,3S,4S,5R,6S)-6-(4-formyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C14H16O9 (328.0794286)


   

N-(6-Methoxy-8-quinolyl)-4-toluenesulfonamide

N-(6-Methoxyquinolin-8-yl)-4-methylbenzene-1-sulphonamide

C17H16N2O3S (328.08815860000004)


   

8-Nitroguanosine

2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-nitro-6,9-dihydro-1H-purin-6-one

C10H12N6O7 (328.0767442)


   

bergenin

5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-13-methoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-9-one

C14H16O9 (328.0794286)


   

2,5-Furandione, 3,4-di-1H-indol-3-yl-

2,5-Furandione, 3,4-di-1H-indol-3-yl-

C20H12N2O3 (328.08478820000005)


   
   
   

2-Mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

2-Mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

C17H16N2OS2 (328.07040059999997)


   

5-Methyl-N-({[3-(trifluoromethyl)anilino]carbonyl}oxy)isoxazole-3-carboximidamide

5-Methyl-N-({[3-(trifluoromethyl)anilino]carbonyl}oxy)isoxazole-3-carboximidamide

C13H11F3N4O3 (328.0783212)


   
   

Bergenin|Bergenin (vermutlich)

Bergenin|Bergenin (vermutlich)

C14H16O9 (328.0794286)


   
   

4,9-Dihydroxyphenazine-1,6-dicarboxylic acid dimethyl ester

4,9-Dihydroxyphenazine-1,6-dicarboxylic acid dimethyl ester

C16H12N2O6 (328.0695332)


   

9-Acetoxymethyl-2-amino-3-oxo-3H-phenoxazin-1-carbonsaeure|9-acetoxymethyl-2-amino-3-oxo-3H-phenoxazine-1-carboxylic acid|O-acetyl cinnabarine

9-Acetoxymethyl-2-amino-3-oxo-3H-phenoxazin-1-carbonsaeure|9-acetoxymethyl-2-amino-3-oxo-3H-phenoxazine-1-carboxylic acid|O-acetyl cinnabarine

C16H12N2O6 (328.0695332)


   
   

7-(beta-D-glucopyranosyloxy)-5-hydroxy-1(3H)-isobenzofuranone|7-O-(beta-D-glucopyranosyloxy)-5-hydroxy-1(3H)-isobenzofuranone

7-(beta-D-glucopyranosyloxy)-5-hydroxy-1(3H)-isobenzofuranone|7-O-(beta-D-glucopyranosyloxy)-5-hydroxy-1(3H)-isobenzofuranone

C14H16O9 (328.0794286)


   
   

2-succinyl-5-enolpyruvoyl-6-hydroxy-3-cyclohexene-1-carboxylate

2-succinyl-5-enolpyruvoyl-6-hydroxy-3-cyclohexene-1-carboxylate

C14H16O9 (328.0794286)


   
   

Furo[3,4-b]pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(2-nitrophenyl)-5-oxo-, methyl ester

Furo[3,4-b]pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(2-nitrophenyl)-5-oxo-, methyl ester

C16H12N2O6 (328.0695332)


   

Met-Ala-OH

(S)-2-(3-(2-(methylthio)ethoxy)-4-nitrobenzamido)propanoic acid

C13H16N2O6S (328.0729036)


   

Ala-Met-OH

(S)-2-(3-methoxy-4-nitrobenzamido)-5-(methylthio)pentanoic acid

C13H16N2O6S (328.0729036)


   

6-Sulfatoxymelatonin

N-{2-[5-methoxy-6-(sulfooxy)-1H-indol-3-yl]ethyl}ethanimidic acid

C13H16N2O6S (328.0729036)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

(3-BROMOPHENOXY)TRIISOPROPYLSILANE 97

(3-BROMOPHENOXY)TRIISOPROPYLSILANE 97

C15H25BrOSi (328.08579399999996)


   

Tetrakis(dimethylsilyl) Orthosilicate

Tetrakis(dimethylsilyl) Orthosilicate

C8H28O4Si5 (328.08338879999997)


   

3-BENZYL-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE

3-BENZYL-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE

C17H16N2OS2 (328.07040059999997)


   

(2,4-dimethoxyphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone

(2,4-dimethoxyphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone

C16H12F4O3 (328.07225299999993)


   
   

1-Benzyl-2-(perfluoropropyl)-4,5-dihydro-1H-imidazole

1-Benzyl-2-(perfluoropropyl)-4,5-dihydro-1H-imidazole

C13H11F7N2 (328.08104099999997)


   

2-(BENZYLTHIO)-5,6,7,8-TETRAHYDRO-[1]-BENZOTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE

2-(BENZYLTHIO)-5,6,7,8-TETRAHYDRO-[1]-BENZOTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE

C17H16N2OS2 (328.07040059999997)


   

2,6-DI(OXIRAN-2-YLMETHYL)-1,2,3,5,6,7-HEXAHYDROPYRROLO[3,4-F]ISOINDOLE-1,3,5,7-TETRAONE

2,6-DI(OXIRAN-2-YLMETHYL)-1,2,3,5,6,7-HEXAHYDROPYRROLO[3,4-F]ISOINDOLE-1,3,5,7-TETRAONE

C16H12N2O6 (328.0695332)


   

TSQ

N-(6-Methoxy-8-quinolyl)-4-toluenesulfonamide

C17H16N2O3S (328.08815860000004)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes

   

2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenedioic acid

2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenedioic acid

C13H16N2O6S (328.0729036)


   

Hydroxymethyl triphenylphosphonium chloride

Hydroxymethyl triphenylphosphonium chloride

C19H18ClOP (328.0783738)


   

2-MERCAPTO-3-P-TOLYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE

2-MERCAPTO-3-P-TOLYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE

C17H16N2OS2 (328.07040059999997)


   

Betahistine mesilate

Betahistine mesilate

C10H20N2O6S2 (328.076274)


D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Betahistine mesylate is an orally active histamine H1 receptor agonist and a H3 receptor antagonist[1]. Betahistine mesylate is used for the study of rheumatoid arthritis (RA)[3].

   

Thiazolidine, 2-(4-methylphenyl)-3-(4-nitrobenzoyl)- (9CI)

Thiazolidine, 2-(4-methylphenyl)-3-(4-nitrobenzoyl)- (9CI)

C17H16N2O3S (328.08815860000004)


   

2-bromo-7-hexyl-9H-fluorene

2-bromo-7-hexyl-9H-fluorene

C19H21Br (328.0826526)


   

2-MERCAPTO-3-PHENYL-3,5,6,7,8,9-HEXAHYDRO-10-THIA-1,3-DIAZA-BENZO[A]AZULEN-4-ONE

2-MERCAPTO-3-PHENYL-3,5,6,7,8,9-HEXAHYDRO-10-THIA-1,3-DIAZA-BENZO[A]AZULEN-4-ONE

C17H16N2OS2 (328.07040059999997)


   

Piperazine, 1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)

Piperazine, 1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)

C13H16ClF3N2.ClH (328.07208180000003)


   

N-(2-fluorophenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]urea

N-(2-fluorophenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]urea

C15H12F4N2O2 (328.08348599999994)


   
   

benzyl 6-methyl-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

benzyl 6-methyl-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C17H16N2O3S (328.08815860000004)


   

4-(4-trans-Propylcyclohexyl)iodobenzene

4-(4-trans-Propylcyclohexyl)iodobenzene

C15H21I (328.0687936)


   

9-Hydroxy-4-phenylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione

9-Hydroxy-4-phenylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione

C20H12N2O3 (328.08478820000005)


   

[4-(2-Amino-4-methyl-thiazol-5-YL)-pyrimidin-2-YL]-(3-nitro-phenyl)-amine

[4-(2-Amino-4-methyl-thiazol-5-YL)-pyrimidin-2-YL]-(3-nitro-phenyl)-amine

C14H12N6O2S (328.0742412)


   
   

beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl

beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl

C14H16O9 (328.0794286)


   

4-ethoxy-N-(3-quinolinyl)benzenesulfonamide

4-ethoxy-N-(3-quinolinyl)benzenesulfonamide

C17H16N2O3S (328.08815860000004)


   

3,4-dimethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

3,4-dimethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

C17H16N2O3S (328.08815860000004)


   

3,4-dimethoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide

3,4-dimethoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C17H16N2O3S (328.08815860000004)


   
   
   

(1R,5S,6S)-5-(1-carboxyethenoxy)-2-(3-carboxypropanoyl)-6-hydroxycyclohex-2-ene-1-carboxylic acid

(1R,5S,6S)-5-(1-carboxyethenoxy)-2-(3-carboxypropanoyl)-6-hydroxycyclohex-2-ene-1-carboxylic acid

C14H16O9 (328.0794286)


   

5-[(E)-3-(2-carboxy-4-hydroxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenolate

5-[(E)-3-(2-carboxy-4-hydroxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenolate

C17H14NO6- (328.08210840000004)


   

2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-nitro-1H-purin-6-one

2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-nitro-1H-purin-6-one

C10H12N6O7 (328.0767442)


   

5-(1-Carboxyethenoxy)-2-(3-carboxypropanoyl)-6-hydroxycyclohex-2-ene-1-carboxylic acid

5-(1-Carboxyethenoxy)-2-(3-carboxypropanoyl)-6-hydroxycyclohex-2-ene-1-carboxylic acid

C14H16O9 (328.0794286)


   

(1R,2S,5S,6S)-2-(3-carboxypropanoyl)-5-[(1-carboxyvinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylic acid

(1R,2S,5S,6S)-2-(3-carboxypropanoyl)-5-[(1-carboxyvinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylic acid

C14H16O9 (328.0794286)


   

1-[2-(Difluoromethoxy)-4-methylphenyl]-3-(2,4-difluorophenyl)urea

1-[2-(Difluoromethoxy)-4-methylphenyl]-3-(2,4-difluorophenyl)urea

C15H12F4N2O2 (328.08348599999994)


   

3-(4-Methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone

3-(4-Methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone

C17H16N2O3S (328.08815860000004)


   

5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester

5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester

C18H16O4S (328.07692560000004)


   

(2R,3S,4S,4aS,10bR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-6-one

(2R,3S,4S,4aS,10bR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-6-one

C14H16O9 (328.0794286)


   

[[1-[(4-Fluorophenyl)methyl]-2-oxo-3-indolylidene]amino]thiourea

[[1-[(4-Fluorophenyl)methyl]-2-oxo-3-indolylidene]amino]thiourea

C16H13FN4OS (328.079406)


   

N-{[(4-amino-5-cyano-2-pyrimidinyl)sulfanyl]acetyl}-N-phenylurea

N-{[(4-amino-5-cyano-2-pyrimidinyl)sulfanyl]acetyl}-N-phenylurea

C14H12N6O2S (328.0742412)


   
   

N,N-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine

N,N-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine

C13H11F3N4O3 (328.0783212)


   
   
   
   
   

Diphosphoric acid alpha-[(Z)-2,3,7-trimethyl-2,6-octadienyl] ester

Diphosphoric acid alpha-[(Z)-2,3,7-trimethyl-2,6-octadienyl] ester

C11H22O7P2 (328.0840722)


   

3,4,5-Trihydroxy-6-[2-(3-hydroxyphenyl)acetyl]oxyoxane-2-carboxylic acid

3,4,5-Trihydroxy-6-[2-(3-hydroxyphenyl)acetyl]oxyoxane-2-carboxylic acid

C14H16O9 (328.0794286)


   

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

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

C14H16O9 (328.0794286)


   

3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one

3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one

C14H16O9 (328.0794286)


   

6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C14H16O9 (328.0794286)


   

avenanthramide B(1-)

avenanthramide B(1-)

C17H14NO6 (328.08210840000004)


A hydroxybenzoate that is the conjugate base of avenanthramide B, resulting from the deprotonation of the carboxy group. Major species at pH 7.3.

   

(2s,4r,5r,6s,7r)-5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-13-methoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-9-one

(2s,4r,5r,6s,7r)-5,6,12,14-tetrahydroxy-4-(hydroxymethyl)-13-methoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-9-one

C14H16O9 (328.0794286)


   

(3r,3'r,4's,5'r)-3',4',5,7-tetrahydroxy-5'-(hydroxymethyl)-6-methoxy-4h-spiro[2-benzopyran-3,2'-oxolan]-1-one

(3r,3'r,4's,5'r)-3',4',5,7-tetrahydroxy-5'-(hydroxymethyl)-6-methoxy-4h-spiro[2-benzopyran-3,2'-oxolan]-1-one

C14H16O9 (328.0794286)


   

methyl 5-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-3-carboxylate

methyl 5-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-3-carboxylate

C14H16O9 (328.0794286)


   

3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid

3-({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,3,4-trihydroxybutanoic acid

C14H16O9 (328.0794286)