Exact Mass: 800.1072188

Exact Mass Matches: 800.1072188

Found 32 metabolites which its exact mass value is equals to given mass value 800.1072188, 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

TS-TM-calix(4)arene

5,11,17,23-Tetrasulfonato-25,26,27,28-tetramethoxy-calix(4)arene

C32H32O16S4 (800.0573152)

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.

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)

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

1H-Benzimidazolium, 6-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt

1H-Benzimidazolium, 6-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt

C29H29Cl2F6N4NaO6S2 (800.0707386000001)

Dimethylanilinium tetrakis(pentafluorophenyl)borate

C32H11BF20N- (800.0665135999999)

Benzylidenebis(tricyclohexylphosphine)dichlororuthenium

C44H38Cl2P2Ru (800.0869068000002)

5,11,17,23-Tetrasulfo-25,26,27,28-tetramethoxycalix[4]arene

C32H32O16S4 (800.0573152)

(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)

(N(7)-methyl 5-triphospho-guanosine)-guanosine

C21H27N10O18P3-2 (800.0717632)

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)

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"}

11-{3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl}-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.0²,⁷]octadeca-1(18),2(7),3,5,14,16-hexaene-10-carboxylic acid

11-{3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl}-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.0²,⁷]octadeca-1(18),2(7),3,5,14,16-hexaene-10-carboxylic acid

C34H24O23 (800.0708354000001)

(1r,2s,8r,10r,19r,20s,39s)-8,9,9,13,14,25,26,27,30,31,32,39-dodecahydroxy-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.1²,¹⁹.1⁸,¹².0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0²⁹,³⁴]tetraconta-5,11,13,15,23,25,27,29(34),30,32-decaene-4,7,17,22,35-pentone

(1r,2s,8r,10r,19r,20s,39s)-8,9,9,13,14,25,26,27,30,31,32,39-dodecahydroxy-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.1²,¹⁹.1⁸,¹².0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0²⁹,³⁴]tetraconta-5,11,13,15,23,25,27,29(34),30,32-decaene-4,7,17,22,35-pentone

C34H24O23 (800.0708354000001)

8,9,9,13,14,25,26,27,30,31,32,39-dodecahydroxy-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.1²,¹⁹.1⁸,¹².0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0²⁹,³⁴]tetraconta-5,11,13,15,23(28),24,26,29,31,33-decaene-4,7,17,22,35-pentone

8,9,9,13,14,25,26,27,30,31,32,39-dodecahydroxy-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.1²,¹⁹.1⁸,¹².0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0²⁹,³⁴]tetraconta-5,11,13,15,23(28),24,26,29,31,33-decaene-4,7,17,22,35-pentone

C34H24O23 (800.0708354000001)

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

C35H28O22 (800.1072188)

(10s,11s)-11-[(10r,11r)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl]-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.0²,⁷]octadeca-1(18),2(7),3,5,14,16-hexaene-10-carboxylic acid

(10s,11s)-11-[(10r,11r)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl]-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.0²,⁷]octadeca-1(18),2(7),3,5,14,16-hexaene-10-carboxylic acid

C34H24O23 (800.0708354000001)