Exact Mass: 622.1179

Exact Mass Matches: 622.1179

Found 30 metabolites which its exact mass value is equals to given mass value 622.1179, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

Genistein 4',7-O-diglucuronide

(2S,3S,4S,5R,6S)-6-[4-(7-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-4-oxo-4H-chromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H26O17 (622.117)


Genistein 4,7-O-diglucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

   

Apigenin 7-O-diglucuronide

(2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H26O17 (622.117)


Apigenin 7-o-diglucuronide is a member of the class of compounds known as flavonoid-7-o-glucuronides. Flavonoid-7-o-glucuronides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Apigenin 7-o-diglucuronide is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Apigenin 7-o-diglucuronide can be found in common verbena, which makes apigenin 7-o-diglucuronide a potential biomarker for the consumption of this food product.

   

Apigenin 7,4-diglucuronide

Apigenin 7,4-diglucuronide

C27H26O17 (622.117)


   

2)-glucuronide

Apigenin 7-glucuronosyl-(1-

C27H26O17 (622.117)


   

4-O-(GlcA(1-2)GlcA) Apigenin

4-O-(GlcA(1-2)GlcA) Apigenin

C27H26O17 (622.117)


   

SCHEMBL18415629

SCHEMBL18415629

C27H26O17 (622.117)


   

1,6-Di-O-galloylcrenatin|1-O-galloyl-3,4,5-trihydroxybenzyl alcohol 4-O-beta-D-(6-O-galloyl)-glucopyranoside

1,6-Di-O-galloylcrenatin|1-O-galloyl-3,4,5-trihydroxybenzyl alcohol 4-O-beta-D-(6-O-galloyl)-glucopyranoside

C27H26O17 (622.117)


   

3,4,5-trihydroxybenzyl alcohol 4-O-beta-D-(4,6-di-O-galloyl)-glucopyranoside|4,6-Di-O-galloylcrenatin

3,4,5-trihydroxybenzyl alcohol 4-O-beta-D-(4,6-di-O-galloyl)-glucopyranoside|4,6-Di-O-galloylcrenatin

C27H26O17 (622.117)


   

apigenin 7-diglucuronide

apigenin 7-diglucuronide

C27H26O17 (622.117)


   

7-O-Digalacturonoside-4,5,7-Trihydroxyflavone

7-O-Digalacturonoside-4,5,7-Trihydroxyflavone

C27H26O17 (622.117)


   

(-)-4beta-(2-hydroxyethylsulfanyl)-8-<1-(2-hydroxyethylsulfanyl)ethyl>epicatechin 3-O-gallate

(-)-4beta-(2-hydroxyethylsulfanyl)-8-<1-(2-hydroxyethylsulfanyl)ethyl>epicatechin 3-O-gallate

C28H30O12S2 (622.1179)


   

Clerodendrin

(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

C27H26O17 (622.117)


Clerodendrin is a natural product found in Elodea canadensis, Veronica persica, and other organisms with data available. Clerodendrin is a nature product could be isolated from Lobelia chinensis. Clerodendrin is a potent dual Interleukin-4 (IL-4) inhibitor and β-hexosaminidase (Hex) inhibitor[1]. Clerodendrin is a nature product could be isolated from Lobelia chinensis. Clerodendrin is a potent dual Interleukin-4 (IL-4) inhibitor and β-hexosaminidase (Hex) inhibitor[1].

   

Apigenin-7-diglucuronide

(2S,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxane-2-carboxylic acid

C27H26O17 (622.117)


(2S,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxane-2-carboxylic acid is a natural product found in Tanacetum parthenium and Artemisia judaica with data available.

   

4-O-GlcA-7-O-GlcA Apigenin

4-O-GlcA-7-O-GlcA Apigenin

C27H26O17 (622.117)


   

Flavone base + 3O, O-HexA-HexA

Flavone base + 3O, O-HexA-HexA

C27H26O17 (622.117)


Annotation level-3

   

Apigenin 7-glucuronosyl-(1->2)-glucuronide

Apigenin 7-glucuronosyl-(1->2)-glucuronide

C27H26O17 (622.117)


   

Genistein 4',7-O-diglucuronide

(2S,3S,4S,5R,6S)-6-{[3-(4-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H26O17 (622.117)


   

(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H26O17 (622.117)


   

cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside(2-)

cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside(2-)

C27H26O17-2 (622.117)


   

luteolin 7-O-[(beta-D-glucosyluronic acid)-(1->2)-(beta-D-glucosiduronic acid)]

luteolin 7-O-[(beta-D-glucosyluronic acid)-(1->2)-(beta-D-glucosiduronic acid)]

C27H26O17 (622.117)


   

Genistein 4,7-O-diglucuronide

Genistein 4,7-O-diglucuronide

C27H26O17 (622.117)


   

apigenin-7-o-diglucuronide

apigenin-7-O-diglucuronide

C27H26O17 (622.117)


{"Ingredient_id": "HBIN016470","Ingredient_name": "apigenin-7-o-diglucuronide","Alias": "apigenin-7-O-diglucuronide","Ingredient_formula": "C27H26O17","Ingredient_Smile": "C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O","Ingredient_weight": "622.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1489;40258","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "126843388","DrugBank_id": "NA"}

   

6-[(6-carboxy-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[(6-carboxy-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H26O17 (622.117)


   

3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carbonyloxy)oxane-2-carboxylic acid

3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carbonyloxy)oxane-2-carboxylic acid

C27H26O17 (622.117)


   

[(2r,3s,4s,5r,6s)-6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,3s,4s,5r,6s)-6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C27H26O17 (622.117)


   

(2s,3s,4r,5s,6s)-6-[4-(7-{[(2s,3r,4s,5s,6r)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2s,3s,4r,5s,6s)-6-[4-(7-{[(2s,3r,4s,5s,6r)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H26O17 (622.117)


   

(2s,3s,4s,5r,6s)-6-{[(2s,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxane-2-carboxylic acid

(2s,3s,4s,5r,6s)-6-{[(2s,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxane-2-carboxylic acid

C27H26O17 (622.117)


   

(2s,3s,4s,5r,6s)-5-{[(2r,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid

(2s,3s,4s,5r,6s)-5-{[(2r,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid

C27H26O17 (622.117)


   

(6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

(6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

C27H26O17 (622.117)


   

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carbonyloxy]oxane-2-carboxylic acid

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carbonyloxy]oxane-2-carboxylic acid

C27H26O17 (622.117)