Exact Mass: 800.1436022

Exact Mass Matches: 800.1436022

Found 31 metabolites which its exact mass value is equals to given mass value 800.1436022, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

4-O-Digalloyl-3,5-di-O-galloylquinic acid

(3R,5R)-4-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-1-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid

C35H28O22 (800.1072188)

4-O-Digalloyl-3,5-di-O-galloylquinic acid is isolated from commercial tannic acid. Isolated from commercial tannic acid

1,3,4,5-Tetra-O-galloylquinic acid

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

C35H28O22 (800.1072188)

Tannin constituent isolated from commercial tannic acid. Tannin constituent isolated from commercial tannic acid

3-Digalloyl-4,5-di-O-galloylquinic acid

(1S,3R,4R,5R)-3-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-1-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

C35H28O22 (800.1072188)

3-Digalloyl-4,5-di-O-galloylquinic acid is isolated from commercial tannic acid. Isolated from commercial tannic acid

5-O-Digalloyl-3,4-di-O-galloylquinic acid

(1R,3R,4S,5R)-3-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-1-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

C35H28O22 (800.1072188)

5-O-Digalloyl-3,4-di-O-galloylquinic acid is a constituent of commercial tannic acid. D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors Constituent of commercial tannic acid

Theogallinin

3-(2-{6-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2,3,4-trihydroxyphenyl}-3,4,5-trihydroxyphenoxycarbonyl)-1,4,5-trihydroxycyclohexane-1-carboxylic acid

C36H32O21 (800.1436022)

Fermentation production isolated from black tea. Theogallinin is found in tea. Theogallinin is found in tea. Fermentation produced isolated from black tea.

Luteolin 7,4-diglucuronide-3-glucoside

C33H36O23 (800.1647306)

Theogallinin

3-[2-(6-{5,7-dihydroxy-3-[(3,4,5-trihydroxyphenyl)carbonyloxy]-3,4-dihydro-2H-1-benzopyran-2-yl}-2,3,4-trihydroxyphenyl)-3,4,5-trihydroxyphenoxycarbonyl]-1,4,5-trihydroxycyclohexane-1-carboxylic acid

C36H32O21 (800.1436022)

3-O-(O-Feruloylglucopyranoside),7-O-glucuronoside-3,4,5,7-Tetrahydroxyflavone

C37H36O20 (800.1799856)

CPB-53-1114-4 6,7-di-p-bromobenzoate

C38H42Br2O9 (800.1195402000001)

Hirsutrin-octaacetat|Octaacetyl-quercetin-3-glucosid|Quercetin-3-beta-D-glucopyranosid-octaacetat

C37H36O20 (800.1799856)

laevigatin A

C35H28O22 (800.1072188)

corchoruside A

C37H36O20 (800.1799856)

1,3,4,5-Tetragqa

1,3,4,5-tetrakis[(3,4,5-trihydroxyphenyl)carbonyloxy]cyclohexane-1-carboxylic acid

C35H28O22 (800.1072188)

3-DiG-4,5-gqa

(1S,3R,4R,5R)-3-({3,5-dihydroxy-4-[(3,4,5-trihydroxyphenyl)carbonyloxy]phenyl}carbonyloxy)-1-hydroxy-4,5-bis[(3,4,5-trihydroxyphenyl)carbonyloxy]cyclohexane-1-carboxylic acid

C35H28O22 (800.1072188)

3,4-g-5-DiGQA

(1R,3R,4S,5R)-3-({3,5-dihydroxy-4-[(3,4,5-trihydroxyphenyl)carbonyloxy]phenyl}carbonyloxy)-1-hydroxy-4,5-bis[(3,4,5-trihydroxyphenyl)carbonyloxy]cyclohexane-1-carboxylic acid

C35H28O22 (800.1072188)

D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors

(3R,5R)-4-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-1-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid

C35H28O22 (800.1072188)

FAD-N5-oxide

C27H32N9O16P2- (800.1442192000001)

[1-(2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl)]ethyl-(4-aminophenyl)-1-deoxy-5-[1-alpha-D-ribofuranosyl triphosphate]-D-ribitol

C25H35N6O18P3-4 (800.122064)

myricetin 3-O-[(6-O-[(E)-feruloyl]-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside]

C37H36O20-2 (800.1799856)

Kdo4PGlcN2P2

C20H39N2O25P3 (800.1054714)

3-deoxy-5-O-phosphono-alpha-D-manno-oct-2-ulonosyl-(2->6)-2-amino-2-deoxy-4-O-phosphono-beta-D-glucosyl-(1->6)-2-amino-2-deoxy-1-O-phosphono-alpha-D-glucose

C20H39N2O25P3 (800.1054714)

PubChem CID: 16007073; (Acyl-CoA); [M+H]+

C25H35N6O16P3S (800.1043060000001)

3,5-Di-galloyl-4-O-digalloylquinic acid

(3R,5R)-4-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-1-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid

C35H28O22 (800.1072188)

(2s,3r,4r)-3,4-bis[(6-bromo-1h-indol-3-yl)methyl]-n,1-bis(4-carbamimidamidobutyl)-2,4-dihydroxy-5-oxopyrrolidine-2-carboximidic acid

C33H42Br2N10O4 (800.1757052)

1,3,4,5-tetra-o-galloylquinic acid

C35H28O22 (800.1072188)

{"Ingredient_id": "HBIN001021","Ingredient_name": "1,3,4,5-tetra-o-galloylquinic acid ","Alias": "NA","Ingredient_formula": "C35H28O22","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O","Ingredient_weight": "800.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "21349","PubChem_id": "124020","DrugBank_id": "NA"}

(2r,3r,4s)-3,4-bis[(6-bromo-1h-indol-3-yl)methyl]-n,1-bis(4-carbamimidamidobutyl)-2,4-dihydroxy-5-oxopyrrolidine-2-carboximidic acid

C33H42Br2N10O4 (800.1757052)

methyl (2s,3s,4s,5r,6s)-6-[(3-{[(2r,3s,4r,5r,6s)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate

methyl (2s,3s,4s,5r,6s)-6-[(3-{[(2r,3s,4r,5r,6s)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate

C37H36O20 (800.1799856)

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

C35H28O22 (800.1072188)

(2s,3r,4s)-3,4-bis[(6-bromo-1h-indol-3-yl)methyl]-n,1-bis(4-carbamimidamidobutyl)-2,4-dihydroxy-5-oxopyrrolidine-2-carboximidic acid

C33H42Br2N10O4 (800.1757052)

[(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[5,7-bis(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxochromen-3-yl]oxy}oxan-2-yl]methyl acetate

C37H36O20 (800.1799856)

methyl 6-({3-[(3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylate

C37H36O20 (800.1799856)