Exact Mass: 788.1400498

Exact Mass Matches: 788.1400498

Found 84 metabolites which its exact mass value is equals to given mass value 788.1400498, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

1,2,3,6-Tetragalloyl-beta-D-glucopyranose

[(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


1,2,3,6-tetrakis-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having four galloyl groups in the 1-, 2-, 3- and 6-positions. It is a gallate ester and a galloyl beta-D-glucose. 1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose is a natural product found in Castanea crenata, Quercus aliena, and other organisms with data available. See also: Paeonia lactiflora root (part of). 1,2,3,6-Tetragalloyl-beta-D-glucopyranose is found in beverages. 1,2,3,6-Tetragalloyl-beta-D-glucopyranose is isolated from Ceratonia siliqua (carob). Isolated from Ceratonia siliqua (carob). 1,2,3,6-Tetragalloyl-beta-D-glucopyranose is found in beverages and fruits. 1,2,3,6-Tetragalloylglucose is a potent UDP glucuronosyltransferase 1 family, polypeptide A1 (UGT1A1) inhibitor, with a Ki of 1.68 μM[1]. 1,2,3,6-Tetragalloylglucose is a potent UDP glucuronosyltransferase 1 family, polypeptide A1 (UGT1A1) inhibitor, with a Ki of 1.68 μM[1].

   

1,2,3,4-Tetragalloyl-alpha-D-glucose

1,2,3,4-Tetragalloyl-alpha-D-glucose

C34H28O22 (788.1072188)


   

1,2,4,6-Tetragalloyl-beta-D-glucopyranose

4-hydroxy-5,6-bis(3,4,5-trihydroxybenzoyloxy)-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


1,2,4,6-Tetragalloyl-beta-D-glucopyranose is found in pomegranate. 1,2,4,6-Tetragalloyl-beta-D-glucopyranose is isolated from Bergenia crassifolia (Siberian tea) and Bergenia cordifolia. Isolated from Bergenia crassifolia (Siberian tea) and Bergenia cordifolia. 1,2,4,6-Tetragalloyl-beta-D-glucopyranose is found in tea and pomegranate.

   

1,2',3,5-Tetra-O-galloylhamamelofuranose

[4-Hydroxy-3,5-bis(3,4,5-trihydroxybenzoyloxy)-4-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoic acid

C34H28O22 (788.1072188)


1,2,3,5-Tetra-O-galloylhamamelofuranose is found in nuts. 1,2,3,5-Tetra-O-galloylhamamelofuranose is isolated from the bark of Castanea crenata (Japanese chestnut). Isolated from the bark of Castanea crenata (Japanese chestnut). 1,2,3,5-Tetra-O-galloylhamamelofuranose is found in nuts.

   

2,3,4,6-Tetragalloyl-D-glucopyranose

[6-Hydroxy-3,4,5-tris(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid

C34H28O22 (788.1072188)


2,3,4,6-Tetragalloyl-D-glucopyranose is found in herbs and spices. 2,3,4,6-Tetragalloyl-D-glucopyranose is isolated from the root and rhizome of Sanguisorba officinalis (burnet bloodwort). Isolated from the root and rhizome of Sanguisorba officinalis (burnet bloodwort). 2,3,4,6-Tetragalloyl-D-glucopyranose is found in tea and herbs and spices.

   

delphinidin 3-O-glucosyl-5-O-caffeoylglucoside

5-{[6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium-7-olate

C36H36O20 (788.1799856)


Delphinidin 3-o-glucosyl-5-o-caffeoylglucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Delphinidin 3-o-glucosyl-5-o-caffeoylglucoside can be found in a number of food items such as pear, apple, banana, and garden tomato, which makes delphinidin 3-o-glucosyl-5-o-caffeoylglucoside a potential biomarker for the consumption of these food products.

   

6-Hydroxyluteoin-7-(6-caffeylsophoroside)

5,6,7,3,4-Pentahydroxyflavone 7- [ 6"-caffeylglucosyl- (1->2) -glucoside ]

C36H36O20 (788.1799856)


   

Quercetin 3-(2-caffeylsophoroside)

3,5,7,3,4-Pentahydroxyflavone 3- (2"-caffeylsophoroside)

C36H36O20 (788.1799856)


   

Quercetin 3-(6-caffeoylsophoroside)

2-(3,4-Dihydroxyphenyl)-3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

C36H36O20 (788.1799856)


   

Madreselvin B

2- (3,4-Dihydroxyphenyl) -3- [ [ 6-O- [ 6-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyl ] oxy ] -5,7-dihydroxy-4H-1-benzopyran-4-one

C36H36O20 (788.1799856)


   

delphinidin 3-O-glucosyl-5-O-caffeoylglucoside

delphinidin 3-O-glucosyl-5-O-caffeoylglucoside

C36H36O20 (788.1799856)


   

brainoside B|quercetin 3-O-beta-D-glucopyranosyl (1->2)-[(6-O-trans-caffeoyl)-beta-D-glucopyranoside]

brainoside B|quercetin 3-O-beta-D-glucopyranosyl (1->2)-[(6-O-trans-caffeoyl)-beta-D-glucopyranoside]

C36H36O20 (788.1799856)


   

1,2,3,5-Tetrakis(3,4,5-trihydroxybenzoyl)-beta-D-Furanose-2-C-Hydroxymethylribose

1,2,3,5-Tetrakis(3,4,5-trihydroxybenzoyl)-beta-D-Furanose-2-C-Hydroxymethylribose

C34H28O22 (788.1072188)


   

1,3,4,6-tetra-O-gallolyl-beta-D-glucose|1,3,4,6-tetra-O-galloyl-beta-D-Glc|1,3,4,6-tetra-O-galloyl-beta-D-glucopyranose|1,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside|1,3,4,6-Tetra-O-galloyl-beta-D-glucose|1,3,4,6-tetra-O-galloyl-beta-D-glucoside|beta-D-Pyranose-form-1,3,4,6-Tetragalloylglucose

1,3,4,6-tetra-O-gallolyl-beta-D-glucose|1,3,4,6-tetra-O-galloyl-beta-D-Glc|1,3,4,6-tetra-O-galloyl-beta-D-glucopyranose|1,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside|1,3,4,6-Tetra-O-galloyl-beta-D-glucose|1,3,4,6-tetra-O-galloyl-beta-D-glucoside|beta-D-Pyranose-form-1,3,4,6-Tetragalloylglucose

C34H28O22 (788.1072188)


   

3-O-(Caffeoylsophoroside)-3,3,4,5,7-Pentahydroxyflavone

3-O-(Caffeoylsophoroside)-3,3,4,5,7-Pentahydroxyflavone

C36H36O20 (788.1799856)


   

Bisdemalonylsalviadelphin

Bisdemalonylsalviadelphin

C36H36O20 (788.1799856)


   
   

[(2R,3R,4R,5R,6S)-5-hydroxy-3,4,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

NCGC00385650-01![(2R,3R,4R,5R,6S)-5-hydroxy-3,4,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate

NCGC00385263-01![(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

[(2R,3S,4S,5R,6S)-4-hydroxy-3,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

NCGC00385468-01![(2R,3S,4S,5R,6S)-4-hydroxy-3,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

[(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

NCGC00169133-02![(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

1,2,3,6-Tetragalloylglucose

1,2,3,6-Tetragalloylglucose

C34H28O22 (788.1072188)


   

[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate

[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

[(2R,3S,4S,5R,6S)-4-hydroxy-3,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2R,3S,4S,5R,6S)-4-hydroxy-3,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

1,2,3,6-tetragalloylglucose_12.5\\%

1,2,3,6-tetragalloylglucose_12.5\\%

C34H28O22 (788.1072188)


   

1,2,3,6-tetragalloylglucose_major

1,2,3,6-tetragalloylglucose_major

C34H28O22 (788.1072188)


   

1,2,3,6-tetragalloylglucose_minor

1,2,3,6-tetragalloylglucose_minor

C34H28O22 (788.1072188)


   

[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate_6.5\\%

[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate_6.5\\%

C34H28O22 (788.1072188)


   

[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate_major

[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate_major

C34H28O22 (788.1072188)


   

[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate_minor

[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate_minor

C34H28O22 (788.1072188)


   

[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate_11.4\\%

[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate_11.4\\%

C34H28O22 (788.1072188)


   

Delphinidin 3-glucoside 5-caffoyl-glucoside

Delphinidin 3-glucoside 5-caffoyl-glucoside

C36H36O20 (788.1799856)


   

2,3,4,6-Tetragalloyl-D-glucopyranose

6-hydroxy-4,5-bis[(3,4,5-trihydroxyphenyl)carbonyloxy]-2-{[(3,4,5-trihydroxyphenyl)carbonyloxy]methyl}oxan-3-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

1,2,4,6-Tetragalloyl-beta-D-glucopyranose

4-hydroxy-3,5-bis[(3,4,5-trihydroxyphenyl)carbonyloxy]-6-{[(3,4,5-trihydroxyphenyl)carbonyloxy]methyl}oxan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

1,2',3,5-Tetra-O-galloylhamamelofuranose

{3-hydroxy-2,4-bis[(3,4,5-trihydroxyphenyl)carbonyloxy]-5-{[(3,4,5-trihydroxyphenyl)carbonyloxy]methyl}oxolan-3-yl}methyl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

Rh110-2(Asp) [RhodaMine 110, bis-(L-aspartic acid aMide), trifluoroacetic acid salt]

Rh110-2(Asp) [RhodaMine 110, bis-(L-aspartic acid aMide), trifluoroacetic acid salt]

C28H24N4O9.2(C2HF3O2) (788.1400498)


   

1,2,4,6-Tetragalloylglucose

1,2,4,6-Tetragalloylglucose

C34H28O22 (788.1072188)


   

neocarratetraose 4-O-disulfate

neocarratetraose 4-O-disulfate

C24H36O25S2-2 (788.0987046)


   

[3,4,5-trihydroxy-6-[7-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-5-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

[3,4,5-trihydroxy-6-[7-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-5-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C36H36O20 (788.1799856)


   

5,7-Dihydroxy-4-Oxo-2-(3,4,5-Trihydroxyphenyl)-4h-Chromen-3-Yl 6-Deoxy-2-O-{6-O-[(2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoyl]-Beta-D-Glucopyranosyl}-Alpha-L-Mannopyranoside

5,7-Dihydroxy-4-Oxo-2-(3,4,5-Trihydroxyphenyl)-4h-Chromen-3-Yl 6-Deoxy-2-O-{6-O-[(2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoyl]-Beta-D-Glucopyranosyl}-Alpha-L-Mannopyranoside

C36H36O20 (788.1799856)


   

quercetin 3-O-[(6-O-caffeoyl-beta-D-glucosyl)-(1->2)-beta-D-glucoside]

quercetin 3-O-[(6-O-caffeoyl-beta-D-glucosyl)-(1->2)-beta-D-glucoside]

C36H36O20 (788.1799856)


   

1,3,4,6-Tetragalloylglucose

1,3,4,6-Tetragalloylglucose

C34H28O22 (788.1072188)


   

NP-003686

[(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


1,2,3,6-tetrakis-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having four galloyl groups in the 1-, 2-, 3- and 6-positions. It is a gallate ester and a galloyl beta-D-glucose. 1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose is a natural product found in Castanea crenata, Quercus aliena, and other organisms with data available. See also: Paeonia lactiflora root (part of). 1,2,3,6-Tetragalloylglucose is a potent UDP glucuronosyltransferase 1 family, polypeptide A1 (UGT1A1) inhibitor, with a Ki of 1.68 μM[1]. 1,2,3,6-Tetragalloylglucose is a potent UDP glucuronosyltransferase 1 family, polypeptide A1 (UGT1A1) inhibitor, with a Ki of 1.68 μM[1].

   

1,2,3,4-tetrakis-O-galloyl-alpha-D-glucose

1,2,3,4-tetrakis-O-galloyl-alpha-D-glucose

C34H28O22 (788.1072188)


A gallate ester that is the tetraester obtained by the formal condensation of hydroxy groups at positions 1, 2, 3 and 4 of alpha-D-glucose with the carboxy group of four molecules of gallic acid respectively.

   

Tetrakis-O-galloyl-beta-glucose

Tetrakis-O-galloyl-beta-glucose

C34H28O22 (788.1072188)


   

(2r,3r,4s,5r,6r)-2-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate

(2r,3r,4s,5r,6r)-2-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

(2s,3r,4s,5r,6r)-5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

(2s,3r,4s,5r,6r)-5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

(2s,3r,4r,5r,6r)-3-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

(2s,3r,4r,5r,6r)-3-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

(1r,4s,7s,8s,9s)-8-hydroxy-9-[(1r,4s,7s,8s,9s)-8-hydroxy-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulfanyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-trien-9-yl]-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-triene-3,6-dione

(1r,4s,7s,8s,9s)-8-hydroxy-9-[(1r,4s,7s,8s,9s)-8-hydroxy-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulfanyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-trien-9-yl]-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-triene-3,6-dione

C34H40N6O8S4 (788.1790360000001)


   

5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C36H36O20 (788.1799856)


   

[(2r,3s,4s,5r)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxy-5-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

[(2r,3s,4s,5r)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxy-5-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C36H36O20 (788.1799856)


   

1,2,3,6-pentagalloylglucose

NA

C34H28O22 (788.1072188)


{"Ingredient_id": "HBIN000601","Ingredient_name": "1,2,3,6-pentagalloylglucose","Alias": "NA","Ingredient_formula": "C34H28O22","Ingredient_Smile": "C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)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)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41443","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

1,2,3,6-tetra-O-galloyl-β-D-glucopyranose

NA

C34H28O22 (788.1072188)


{"Ingredient_id": "HBIN000604","Ingredient_name": "1,2,3,6-tetra-O-galloyl-\u03b2-D-glucopyranose","Alias": "NA","Ingredient_formula": "C34H28O22","Ingredient_Smile": "C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)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)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34716","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

1,2,4,6-tetra-o-galloyl-β-d-glucose

NA

C34H28O22 (788.1072188)


{"Ingredient_id": "HBIN000636","Ingredient_name": "1,2,4,6-tetra-o-galloyl-\u03b2-d-glucose","Alias": "NA","Ingredient_formula": "C34H28O22","Ingredient_Smile": "C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21038","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4s,5r,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4s,5r,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C36H36O20 (788.1799856)


   

(1r,4s,7s,8s)-8-hydroxy-9-[(1r,4s,7s,8s,9s)-8-hydroxy-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulfanyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-trien-9-yl]-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-triene-3,6-dione

(1r,4s,7s,8s)-8-hydroxy-9-[(1r,4s,7s,8s,9s)-8-hydroxy-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulfanyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-trien-9-yl]-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-triene-3,6-dione

C34H40N6O8S4 (788.1790360000001)


   

(2s,3s,5r)-5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

(2s,3s,5r)-5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

C36H36O20 (788.1799856)


   

[(2r,3s,4s,5s,6r)-6-{[(2r,3s,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

[(2r,3s,4s,5s,6r)-6-{[(2r,3s,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C36H36O20 (788.1799856)


   

{6-[(2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

{6-[(2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

C36H36O20 (788.1799856)


   

2-[(2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

2-[(2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

C36H36O20 (788.1799856)


   

2-(hydroxymethyl)-4,5,6-tris(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

2-(hydroxymethyl)-4,5,6-tris(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

(2s,3r,4r,5r,6r)-5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

(2s,3r,4r,5r,6r)-5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

{6-[(2-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

{6-[(2-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

C36H36O20 (788.1799856)


   

(2s,3r,4s,5s,6r)-5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

(2s,3r,4s,5s,6r)-5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

(2s,3r,4r,5r)-3-hydroxy-4-(3,4,5-trihydroxybenzoyloxy)-3,5-bis[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl 3,4,5-trihydroxybenzoate

(2s,3r,4r,5r)-3-hydroxy-4-(3,4,5-trihydroxybenzoyloxy)-3,5-bis[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C36H36O20 (788.1799856)


   

2-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate

2-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

(2s,3s,4r,5s,6s)-2-{[(2s,3r,4s,5s,6s)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

(2s,3s,4r,5s,6s)-2-{[(2s,3r,4s,5s,6s)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C36H36O20 (788.1799856)


   

8-hydroxy-9-[8-hydroxy-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulfanyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-trien-9-yl]-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-triene-3,6-dione

8-hydroxy-9-[8-hydroxy-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulfanyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-trien-9-yl]-4-(hydroxymethyl)-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-triene-3,6-dione

C34H40N6O8S4 (788.1790360000001)


   

[(2r,3s,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

[(2r,3s,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C36H36O20 (788.1799856)


   

(2r,3r,4r,5r)-3-hydroxy-4-(3,4,5-trihydroxybenzoyloxy)-3,5-bis[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl 3,4,5-trihydroxybenzoate

(2r,3r,4r,5r)-3-hydroxy-4-(3,4,5-trihydroxybenzoyloxy)-3,5-bis[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

(2r,3s,4r,5s,6s)-5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

(2r,3s,4r,5s,6s)-5-hydroxy-3,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

3-hydroxy-4-(3,4,5-trihydroxybenzoyloxy)-3,5-bis[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl 3,4,5-trihydroxybenzoate

3-hydroxy-4-(3,4,5-trihydroxybenzoyloxy)-3,5-bis[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

4-hydroxy-3,5-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

4-hydroxy-3,5-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-4,5,6-tris(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-4,5,6-tris(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

[(2r,3s,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

[(2r,3s,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C36H36O20 (788.1799856)


   

(3s,4s,5r)-5-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxy-3,4-bis(3,4,5-trihydroxybenzoyl)-1,6-bis(3,4,5-trihydroxyphenyl)hexane-1,2,6-trione

(3s,4s,5r)-5-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxy-3,4-bis(3,4,5-trihydroxybenzoyl)-1,6-bis(3,4,5-trihydroxyphenyl)hexane-1,2,6-trione

C34H28O22 (788.1072188)


   

(2s,3r,4s,5s,6r)-4-hydroxy-3,5-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

(2s,3r,4s,5s,6r)-4-hydroxy-3,5-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)


   

3-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

3-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 3,4,5-trihydroxybenzoate

C34H28O22 (788.1072188)