Exact Mass: 344.0750062

Exact Mass Matches: 344.0750062

Found 31 metabolites which its exact mass value is equals to given mass value 344.0750062, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

Theogallin

1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

C14H16O10 (344.0743436)


Theogallin is found in blackcurrant. Theogallin is isolated from tea.

   

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

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

C14H16O10 (344.0743436)


   

Vanillic acid 4-O-glucuronide

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

C14H16O10 (344.0743436)


Vanillic acid 4-O-glucuronide is a metabolite of vanillic acid. A glucuronide is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. Glucuronidation, the conversion of chemical compounds to glucuronides, is a method that animals use to assist in the excretion of toxic substances, drugs, or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Enzymes that cleave the glycosidic bond of a glucuronide are called glucuronidases (Wikipedia).

   

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

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

C14H16O10 (344.0743436)


6-[4-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3,4-dihydroxyphenyl)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-[5-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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

C14H16O10 (344.0743436)


6-[5-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3,4-dihydroxyphenyl)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.

   

Isovanillic acid glucuronide

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

C14H16O10 (344.0743436)


   

Vanillic acid glucuronide

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

C14H16O10 (344.0743436)


   
   
   

3,4,4a,10b-tetrahydro-3,4,7,8,9-pentahydroxy-2-hydroxymethyl-10-methoxypyrano[3,2-c][2]benzopyran-6(2H)-one

3,4,4a,10b-tetrahydro-3,4,7,8,9-pentahydroxy-2-hydroxymethyl-10-methoxypyrano[3,2-c][2]benzopyran-6(2H)-one

C14H16O10 (344.0743436)


   
   

5-Galloylquinic acid

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid

C14H16O10 (344.0743436)


5-Galloylquinic acid is a natural product found in Quercus salicina, Castanopsis fissa, and Arbutus unedo with data available.

   

Theogallin

BENZOIC ACID, 3,4,5-TRIHYDROXY-, 5-CARBOXY-2,3,5-TRIHYDROXYCYCLOHEXYL ESTER, (1R-(1.ALPHA.,2.BETA.,3.BETA.,5.BETA.))-

C14H16O10 (344.0743436)


Theogallin is a gallate ester resulting from the formal condensation of gallic acid with the (5R)-hydroxy group of (-)-quinic acid (i.e. the hydroxy group on the same side of the cyclohexane ring as the carboxy group). It is a gallate ester, a monocarboxylic acid and a tertiary alcohol. It is functionally related to a gallic acid and a (-)-quinic acid. Theogallin is a natural product found in Quercus salicina, Ribes uva-crispa, and other organisms with data available.

   

1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane

1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane

C12H24O4Si4 (344.07516239999995)


   

2,4,6,8-Tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4,6,8-Tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C12H24O4Si4 (344.07516239999995)


   

4-Galloylquinic acid

4-Galloylquinic acid

C14H16O10 (344.0743436)


   

N-(4-chlorophenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxamide

N-(4-chlorophenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxamide

C18H17ClN2OS (344.0750062)


   

N-(4-fluorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide

N-(4-fluorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide

C16H13FN4O2S (344.074321)


   

3,4,5-Trihydroxy-6-(4-hydroxy-3-methoxybenzoyl)oxyoxane-2-carboxylic acid

3,4,5-Trihydroxy-6-(4-hydroxy-3-methoxybenzoyl)oxyoxane-2-carboxylic acid

C14H16O10 (344.0743436)


   

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

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

C14H16O10 (344.0743436)


   

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

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

C14H16O10 (344.0743436)


   

(1s,3r,4s,5r)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

(1s,3r,4s,5r)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

C14H16O10 (344.0743436)


   

4-o-galloyl quinicacid

NA

C14H16O10 (344.0743436)


{"Ingredient_id": "HBIN010770","Ingredient_name": "4-o-galloyl quinicacid","Alias": "NA","Ingredient_formula": "C14H16O10","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O","Ingredient_weight": "344.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15448","TCMID_id": "8116","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "475263","DrugBank_id": "NA"}

   

5-O-Galloylquinic acid

NA

C14H16O10 (344.0743436)


{"Ingredient_id": "HBIN011858","Ingredient_name": "5-O-Galloylquinic acid","Alias": "NA","Ingredient_formula": "C14H16O10","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O","Ingredient_weight": "344.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8115","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "460894","DrugBank_id": "NA"}

   

(1r,4s)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

(1r,4s)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

C14H16O10 (344.0743436)


   

(2s,4r,5s,6s,7r)-5,6,11,12,13-pentahydroxy-4-(hydroxymethyl)-14-methoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-9-one

(2s,4r,5s,6s,7r)-5,6,11,12,13-pentahydroxy-4-(hydroxymethyl)-14-methoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-9-one

C14H16O10 (344.0743436)


   

(1r,3r,4s,5r)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

(1r,3r,4s,5r)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

C14H16O10 (344.0743436)


   

5,6,11,12,13-pentahydroxy-4-(hydroxymethyl)-14-methoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-9-one

5,6,11,12,13-pentahydroxy-4-(hydroxymethyl)-14-methoxy-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),11,13-trien-9-one

C14H16O10 (344.0743436)


   

(3r,5r)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

(3r,5r)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

C14H16O10 (344.0743436)


   

1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

C14H16O10 (344.0743436)