Exact Mass: 480.092

Exact Mass Matches: 480.092

Found 104 metabolites which its exact mass value is equals to given mass value 480.092, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Gossypin

Gossypetin-8-C-glucoside

C21H20O13 (480.0904)


A glycosyloxyflavone that is gossypetin attached to a beta-D-glucopyranosyl residue at position 8 via a glycosidic linkage. Acquisition and generation of the data is financially supported in part by CREST/JST. Gossypin is a flavone isolated from?Hibiscus vitifolius and has antioxidant, antiinflammatory, anticancer, anticataract, antidiabetic, and hepatoprotective activities. Gossypin inhibits NF-κB and NF-κB-regulated gene expression. Gossypin inhibits RANKL-induced osteoclastogenesis both in mouse primary bone marrow cells and RAW 264.7 cells in vitro[1][2]. Gossypin is a flavone isolated from?Hibiscus vitifolius and has antioxidant, antiinflammatory, anticancer, anticataract, antidiabetic, and hepatoprotective activities. Gossypin inhibits NF-κB and NF-κB-regulated gene expression. Gossypin inhibits RANKL-induced osteoclastogenesis both in mouse primary bone marrow cells and RAW 264.7 cells in vitro[1][2].

   

4-o-Galloylbergenin

4-o-Galloylbergenin

C21H20O13 (480.0904)


   

11-o-Galloylbergenin

(3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-trihydroxybenzoate

C21H20O13 (480.0904)


   

Myricetin 3-galactoside

5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

C21H20O13 (480.0904)


Myricetin 3-O-beta-D-galactopyranoside is a glycosyloxyflavone that is myricetin with a beta-D-galactosyl residue attached at position 3. It has a role as a metabolite. It is a beta-D-galactoside, a monosaccharide derivative, a pentahydroxyflavone and a glycosyloxyflavone. It is functionally related to a beta-D-galactose and a myricetin. Myricetin 3-galactoside is a natural product found in Saxifraga tricuspidata, Kunzea ambigua, and other organisms with data available. Myricetin 3-galactoside is found in allspice. Myricetin 3-galactoside occurs in Thea sinensis (tea) and other plant Occurs in Thea sinensis (tea) and other plants. Myricetin 3-galactoside is found in allspice and tea. A glycosyloxyflavone that is myricetin with a beta-D-galactosyl residue attached at position 3.

   

Quercetagitrin

2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

C21H20O13 (480.0904)


Quercetagitrin is isolated from petals of Tagetes erecta (African marigold Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].

   

3,5-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy]-4H-1-benzopyran-4-one

3,5-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy]-4H-1-benzopyran-4-one

C21H20O13 (480.0904)


   

Myricetin 3'-glucoside

2-(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxy-4H-chromen-4-one

C21H20O13 (480.0904)


Myricetin 3-glucoside is found in fruits. Myricetin 3-glucoside occurs in green tea (Thea sinensis) and blackcurrant (Ribes nigrum Occurs in green tea (Thea sinensis) and blackcurrant (Ribes nigrum). Myricetin 3-glucoside is found in tea and fruits.

   

Tagetiin

2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

C21H20O13 (480.0904)


Tagetiin is isolated from Tagetes erecta (African marigold). Isolated from Tagetes erecta (African marigold)

   

Quercetin-3'-glucuronide

3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid

C21H20O13 (480.0904)


Quercetin 3-glucuronide is a metabolite of the dietary flavonols found in plasma and urine.

   

Gossypetin 8-glucoside

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

C21H20O13 (480.0904)


   

Myricetin 3-glucoside

5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

C21H20O13 (480.0904)


Myricetin 3-glucoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Myricetin 3-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Myricetin 3-glucoside can be found in a number of food items such as blackcurrant, common grape, highbush blueberry, and tea, which makes myricetin 3-glucoside a potential biomarker for the consumption of these food products.

   

Quercetagetin 6-glucoside

2- (3,4-Dihydroxyphenyl) -6- (beta-D-glucopyranosyloxy) -3,5,7-trihydroxy-4H-1-benzopyran-4-one

C21H20O13 (480.0904)


   

Gossypetin 3-glucoside

Gossypetin 3-glucoside

C21H20O13 (480.0904)


   

Gossypetin 7-glucoside

Gossypetin 7-glucoside

C21H20O13 (480.0904)


   

Zeravschanoside

2- (3,4-Dihydroxyphenyl) -7- (beta-D-glucopyranosyloxy) -5,6,8-trihydroxy-4H-1-benzopyran-4-one

C21H20O13 (480.0904)


   

6-Hydroxytricetin 5-glucoside

6-Hydroxytricetin 5-glucoside

C21H20O13 (480.0904)


   

3,5,7,2,3,4-Hexahydroxyflavone 3-glucoside

3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one

C21H20O13 (480.0904)


   

Telephioidin

6-C-beta-D-glucopyranosyl-5,7,2,3,5,6-hexahydroxyflavone

C21H20O13 (480.0904)


   

Myricetin 7-glucoside

Myricetin 7-glucoside

C21H20O13 (480.0904)


   

Gossypetin 3-galactoside

3,5,7,8,3,4-Hexahydroxyflavone 3-galactoside

C21H20O13 (480.0904)


   

Myricetin 3-galactoside

3- [ (beta-D-Galactopyranosyl) oxy ] -3,4,5,5,7-pentahydroxyflavone

C21H20O13 (480.0904)


   

Isomyricitrin

5,7-Dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

C21H20O13 (480.0904)


Myricetin 3-O-beta-D-glucopyranoside is a myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 3. It has a role as a plant metabolite. It is a myricetin O-glucoside, a beta-D-glucoside, a monosaccharide derivative and a pentahydroxyflavone. It is functionally related to a beta-D-glucose. It is a conjugate acid of a myricetin 3-O-beta-D-glucopyranoside(1-). myricetin 3-O-beta-D-glucopyranoside is a natural product found in Saxifraga tricuspidata, Libocedrus yateensis, and other organisms with data available. Myricetin 3-O-glucoside is a metabolite found in or produced by Saccharomyces cerevisiae. A myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 3.

   

Quercetagetin 7-glucoside

2- (3,4-Dihydroxyphenyl) -7- (beta-D-glucopyranosyloxy) -3,5,6-trihydroxy-4H-1-benzopyran-4-one

C21H20O13 (480.0904)


Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].

   

Tagetiin

3- [ (beta-D-Glucopyranosyl) oxy ] -3,4,5,6,7-pentahydroxyflavone

C21H20O13 (480.0904)


   

myricetin 3-O-beta-D-sorboside

myricetin 3-O-beta-D-sorboside

C21H20O13 (480.0904)


   

7,8,3,4,5-pentahydroxyflavone 5-O-beta-D-glucopyranoside

7,8,3,4,5-pentahydroxyflavone 5-O-beta-D-glucopyranoside

C21H20O13 (480.0904)


   

4,6-dicarboxy-2,6-dihydroxy-2-beta-glucopyranosyloxy-benzophenone|cassiaphenone B-2-glucoside

4,6-dicarboxy-2,6-dihydroxy-2-beta-glucopyranosyloxy-benzophenone|cassiaphenone B-2-glucoside

C21H20O13 (480.0904)


   

(+)-hopeahainol A|hopeahainol A

(+)-hopeahainol A|hopeahainol A

C28H16O8 (480.0845)


   
   
   
   

6,8-dihydroxykaempferol-3-O-beta-D-glucopyranoside

6,8-dihydroxykaempferol-3-O-beta-D-glucopyranoside

C21H20O13 (480.0904)


   

CHEMBL2088292

CHEMBL2088292

C28H16O8 (480.0845)


   

5,6,7,3,4,5-hexahydroxyflavone-7-O-beta-D-glucopyranoside

5,6,7,3,4,5-hexahydroxyflavone-7-O-beta-D-glucopyranoside

C21H20O13 (480.0904)


   
   

gossypetin 8-O-beta-D-glucoside

gossypetin 8-O-beta-D-glucoside

C21H20O13 (480.0904)


   

6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one-8-Beta-D-glucopyranoside

6,7,8-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one-8-Beta-D-glucopyranoside

C21H20O13 (480.0904)


   

5-beta(?)-D-Glucopyranosyloxy-6,7-dihydroxy-3-(3,4,5-trihydroxy-phenyl)-chromen-4-on|5-beta(?)-D-glucopyranosyloxy-6,7-dihydroxy-3-(3,4,5-trihydroxy-phenyl)-chromen-4-one

5-beta(?)-D-Glucopyranosyloxy-6,7-dihydroxy-3-(3,4,5-trihydroxy-phenyl)-chromen-4-on|5-beta(?)-D-glucopyranosyloxy-6,7-dihydroxy-3-(3,4,5-trihydroxy-phenyl)-chromen-4-one

C21H20O13 (480.0904)


   
   

6-Hydroxydelphinidin 3-glucoside

6-Hydroxydelphinidin 3-glucoside

C21H20O13 (480.0904)


   

4DX1W79Z8Y

2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one

C21H20O13 (480.0904)


Quercetagitrin is a member of flavonoids and a glycoside. Quercetagitrin is a natural product found in Tagetes erecta, Tagetes lucida, and other organisms with data available. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].

   

Cannabiscitrin

2-[3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,5,7-trihydroxychromen-4-one

C21H20O13 (480.0904)


Myricetin 3-O-beta-D-glucopyranoside is a myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 3. It has a role as a metabolite. It is a beta-D-glucoside, a monosaccharide derivative, a myricetin O-glucoside, a pentahydroxyflavone and a member of flavonols. It is functionally related to a beta-D-glucose. Cannabiscitrin is a natural product found in Ribes rubrum, Cannabis sativa, and other organisms with data available. A myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 3.

   

myricetin-3-galactoside

Myricetin 3-O-galactoside

C21H20O13 (480.0904)


Acquisition and generation of the data is financially supported in part by CREST/JST.

   

5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

NCGC00180655-02!5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

myricetin-3-O-hexoside

myricetin-3-O-hexoside

C21H20O13 (480.0904)


   

5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

Gossypetin-8-C-glucoside

Gossypetin-8-C-glucoside

C21H20O13 (480.0904)


Annotation level-1

   

Myricetin-3-O-galactoside

Myricetin-3-O-galactoside

C21H20O13 (480.0904)


Annotation level-1

   

Flavonol base + 5O, O-Hex

Flavonol base + 5O, O-Hex

C21H20O13 (480.0904)


Annotation level-2

   

Gossypetin-8-glucoside

Gossypetin-8-glucoside

C21H20O13 (480.0904)


Annotation level-1

   

Gossypetin 8-glucoside

Gossypetin 8-glucoside

C21H20O13 (480.0904)


Annotation level-1

   

Gossypin_major

Gossypin_major

C21H20O13 (480.0904)


   

Myricetin 3-glucoside

Myricetin 3-glucoside

C21H20O13 (480.0904)


   

Quercetin-3-glucuronide

3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid

C21H20O13 (480.0904)


   

Quercetagitrin

2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

C21H20O13 (480.0904)


Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].

   

Doconazol

Doconazole

C26H22Cl2N2O3 (480.1007)


C254 - Anti-Infective Agent > C514 - Antifungal Agent

   

548-75-4

2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone

C21H20O13 (480.0904)


Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2]. Quercetagitrin (Quercetagetin-7-O-glucoside), isolated from the flowers of the Marigold (Tagetes erecta), has anti-inflammatory activity[1][2].

   

Myricetin 3-beta-D-glucopyranoside

Myricetin 3-beta-D-glucopyranoside

C21H20O13 (480.0904)


   

myricetin 7-O-beta-D-glucopyranoside

myricetin 7-O-beta-D-glucopyranoside

C21H20O13 (480.0904)


A myricetin O-glucoside that is myricetin with a beta-D-glucosyl residue attached at position 7.

   

Gossypitrin

Gossypetin 7-β-D-glucopyranoside

C21H20O13 (480.0904)


Gossypitrin is a naturally occurring compound classified under the flavonoid group. Flavonoids are a diverse class of secondary metabolites found in plants, known for their various biological activities and health benefits. Gossypitrin, specifically, is a flavonol, which is a subclass of flavonoids. Chemically, gossypitrin has a basic structure of a 3-deoxyflavonol. Its molecular formula is C15H10O6. The structure of gossypitrin features two aromatic rings (A and B rings) connected by a linear three-carbon chain, which includes a keto group. This arrangement is characteristic of flavonoids. The "3-deoxy" part of its name indicates the absence of an oxygen atom at the C-3 position of the ring structure, which is a unique feature of gossypitrin. Gossypitrin is primarily found in cotton plants, particularly in the roots, stems, leaves, and seeds. It is one of the many bioactive compounds in cotton that contribute to the plant's defense mechanisms against pests and diseases. In terms of biological activity, gossypitrin and other related flavonoids have been studied for their potential antioxidant, anti-inflammatory, and anticancer properties. The antioxidant activity is particularly noteworthy, as it can help in neutralizing harmful free radicals in the body, which are associated with aging and various diseases. Research on gossypitrin and its derivatives is ongoing, exploring its potential uses in medicinal and pharmacological applications. The unique chemical structure of gossypitrin makes it an interesting subject for studying the structure-activity relationships of flavonoids and their impact on human health. Gossypitrin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=489-34-9 (retrieved 2024-08-13) (CAS RN: 489-34-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

myricetin 3-O-alpha-D-glucopyranoside

myricetin 3-O-alpha-D-glucopyranoside

C21H20O13 (480.0904)


A myricetin O-glucoside that is myricetin with a alpha-D-glucosyl residue attached at position 3.

   

myricetin 3-O-beta-L-galactopyranoside

myricetin 3-O-beta-L-galactopyranoside

C21H20O13 (480.0904)


A glycosyloxyflavone that is myricetin with a beta-L-galactosyl residue attached at position 3.

   

myricetin 3-O-alpha-L-glucopyranoside

myricetin 3-O-alpha-L-glucopyranoside

C21H20O13 (480.0904)


A myricetin O-glucoside that is myricetin with a alpha-L-glucosyl residue attached at position 3.

   

myricetin 4-O-alpha-D-glucopyranoside

myricetin 4-O-alpha-D-glucopyranoside

C21H20O13 (480.0904)


A myricetin O-glucoside that is myricetin with a alpha-D-glucosyl residue attached at position 4.

   

2-methoxybenzoyl-AMP

2-methoxybenzoyl-AMP

C18H19N5O9P- (480.092)


   

Quercetin-3-O-glucuronide

Quercetin-3-O-glucuronide

C21H20O13 (480.0904)


   

5,6-dihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

5,6-dihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

2-(3,4-dihydroxy-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxychromen-4-one

2-(3,4-dihydroxy-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxychromen-4-one

C21H20O13 (480.0904)


   

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

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

C21H20O13 (480.0904)


   

[(2r,7r)-5,6,12,14-tetrahydroxy-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-4-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,7r)-5,6,12,14-tetrahydroxy-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-4-yl]methyl 3,4,5-trihydroxybenzoate

C21H20O13 (480.0904)


   

2-(3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxychromen-4-one

2-(3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxychromen-4-one

C21H20O13 (480.0904)


   

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

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

C21H20O13 (480.0904)


   

11-O-galloyl bergenin

NA

C21H20O13 (480.0904)


{"Ingredient_id": "HBIN000483","Ingredient_name": "11-O-galloyl bergenin","Alias": "NA","Ingredient_formula": "C21H20O13","Ingredient_Smile": "COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)OC2=O)O","Ingredient_weight": "480.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39682","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "137706608","DrugBank_id": "NA"}

   

5-hydroxy-4-(2-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyl)benzene-1,3-dicarboxylic acid

5-hydroxy-4-(2-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyl)benzene-1,3-dicarboxylic acid

C21H20O13 (480.0904)


   

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

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

C21H20O13 (480.0904)


   

2-(3,4-dihydroxy-5-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxychromen-4-one

2-(3,4-dihydroxy-5-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxychromen-4-one

C21H20O13 (480.0904)


   

2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O13 (480.0904)


   

5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

5,7-dihydroxy-3-{[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

5,7-dihydroxy-3-{[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O13 (480.0904)


   

(1s,2s,3r,11r,14s)-2-hydroxy-14-(hydroxymethyl)-3-(1h-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁴,⁹]octadeca-4,6,8-triene-13,17-dione

(1s,2s,3r,11r,14s)-2-hydroxy-14-(hydroxymethyl)-3-(1h-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁴,⁹]octadeca-4,6,8-triene-13,17-dione

C23H20N4O4S2 (480.0926)


   

5,7-dihydroxy-3-{[3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

5,7-dihydroxy-3-{[3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O13 (480.0904)


   

5-hydroxy-4-(2-hydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyl)benzene-1,3-dicarboxylic acid

5-hydroxy-4-(2-hydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyl)benzene-1,3-dicarboxylic acid

C21H20O13 (480.0904)


   

2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O13 (480.0904)


   

5,7-dihydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

5,7-dihydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

5,7-dihydroxy-3-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

5,7-dihydroxy-3-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

2-hydroxy-14-(hydroxymethyl)-3-(1h-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁴,⁹]octadeca-4,6,8-triene-13,17-dione

2-hydroxy-14-(hydroxymethyl)-3-(1h-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁴,⁹]octadeca-4,6,8-triene-13,17-dione

C23H20N4O4S2 (480.0926)


   

(1s,2s,3r,11r,14r)-2-hydroxy-14-(hydroxymethyl)-3-(1h-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁴,⁹]octadeca-4,6,8-triene-13,17-dione

(1s,2s,3r,11r,14r)-2-hydroxy-14-(hydroxymethyl)-3-(1h-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁴,⁹]octadeca-4,6,8-triene-13,17-dione

C23H20N4O4S2 (480.0926)


   

3,5,7-trihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)chromen-4-one

3,5,7-trihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

5,6-dihydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

5,6-dihydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)chromen-4-one

3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O13 (480.0904)


   

3,5-dihydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

3,5-dihydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

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

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

C21H20O13 (480.0904)


   

5,7-dihydroxy-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

5,7-dihydroxy-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

5,7-dihydroxy-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

5,7-dihydroxy-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

2-(3,4-dihydroxy-5-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxychromen-4-one

2-(3,4-dihydroxy-5-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxychromen-4-one

C21H20O13 (480.0904)


   

(2s,3s,4s,5r,6r)-6-{[(2s,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

(2s,3s,4s,5r,6r)-6-{[(2s,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H20O13 (480.0904)


   

(2r,7r)-5,12,14-trihydroxy-4-(hydroxymethyl)-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-6-yl 3,4,5-trihydroxybenzoate

(2r,7r)-5,12,14-trihydroxy-4-(hydroxymethyl)-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(14),10,12-trien-6-yl 3,4,5-trihydroxybenzoate

C21H20O13 (480.0904)


   

6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H20O13 (480.0904)


   

5,7-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

5,7-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O13 (480.0904)


   

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

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

C21H20O13 (480.0904)