Exact Mass: 622.0807

Acid Green 25

C28H20N2Na2O8S2 (622.0456)

Genistein 4',7-O-diglucuronide

C27H26O17 (622.117)

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

Apigenin 7-O-diglucuronide

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

C27H26O17 (622.117)

2)-glucuronide

C27H26O17 (622.117)

Phelligridin H

C33H18O13 (622.0747)

Deacetylhectochlorin

C25H32Cl2N2O8S2 (622.0977)

Pelargoniin B

C26H22O18 (622.0806)

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

C27H26O17 (622.117)

SCHEMBL18415629

C27H26O17 (622.117)

beticolin O

C31H23ClO12 (622.0878)

euphormisin M2

C26H22O18 (622.0806)

Echinolactone B

C30H40Br2O4 (622.1293)

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

C27H26O17 (622.117)

Fucotriphlorethol A

C30H22O15 (622.0959)

apigenin 7-diglucuronide

C27H26O17 (622.117)

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

C27H26O17 (622.117)

C30H22O15

C30H22O15 (622.0959)

neobulgarone G

C32H24Cl2O9 (622.0797)

6-Bromo-3,4-dimethoxybenzoyldiphyllin

C30H23BrO10 (622.0475)

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

C28H30O12S2 (622.1179)

Clerodendrin

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

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

C27H26O17 (622.117)

Flavone base + 3O, O-HexA-HexA

C27H26O17 (622.117)

Annotation level-3

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

C27H26O17 (622.117)

Genistein 4',7-O-diglucuronide

C27H26O17 (622.117)

Benzenesulfonic acid,2,2-[(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)diimino]bis[5-methyl-, sodiumsalt (1:2)

C28H20N2Na2O8S2 (622.0456)

hexaphenyldigermoxane

C36H30Ge2O (622.0738)

Chloro{[(1R,2R)-(-)-2-amino-1,2-diphenylethyl](4-toluenesulfonyl)amido}(mesitylene)ruthenium(II), min. 90 RuCl[(R,R)-Tsdpen(mesitylene)

C30H33ClN2O2RuS (622.0995)

bis(triphenylphosphine)copper(I) chloride

C36H30ClCuP2 (622.0807)

(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)

cADPRP

C15H23N5O16P3+ (622.0353)

iodinated Bolton and Hunter derivative of ampicillin

C25H25IN3O6S- (622.0509)

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)]

C27H26O17 (622.117)

Genistein 4,7-O-diglucuronide

C27H26O17 (622.117)

2-phospho-cyclic ADP-ribose

C15H23N5O16P3 (622.0353)

A cyclic purine nucleotide that is cyclic ADP-ribose substituted at position O-2 by a phospho group.

methyl (1s,7s,8r,17r)-4-chloro-8,13,15,20,22,25-hexahydroxy-29-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate

C31H23ClO12 (622.0878)

1,1'-dichloro-2,2',4,4'-tetrahydroxy-7-(hydroxymethyl)-5,5'-dimethoxy-7'-methyl-9h,9'h-[9,9'-bianthracene]-10,10'-dione

C32H24Cl2O9 (622.0797)

[(4r,5s,7r,8s,11r,12r,20s)-16,17,20-trihydroxy-7-(hydroxymethyl)-2,10,13-trioxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,14-tetraoxatetracyclo[10.6.1.1⁴,⁸.0¹⁵,¹⁹]icosa-1(18),15(19),16-trien-11-yl]acetic acid

C26H22O18 (622.0806)

[(4s,5r,7s,8s,20s)-16,17,20-trihydroxy-7-(hydroxymethyl)-2,10,13-trioxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,14-tetraoxatetracyclo[10.6.1.1⁴,⁸.0¹⁵,¹⁹]icosa-1(18),15(19),16-trien-11-yl]acetic acid

C26H22O18 (622.0806)

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

C27H26O17 (622.117)

[(4r,5s,7r,8r,9s,12s,13s)-8,17,18-trihydroxy-7-(hydroxymethyl)-2,11,14-trioxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,10,15-tetraoxatetracyclo[11.6.1.0⁴,⁹.0¹⁶,²⁰]icosa-1(19),16(20),17-trien-12-yl]acetic acid

C26H22O18 (622.0806)

[8,17,18-trihydroxy-7-(hydroxymethyl)-2,11,14-trioxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,10,15-tetraoxatetracyclo[11.6.1.0⁴,⁹.0¹⁶,²⁰]icosa-1(19),16(20),17-trien-12-yl]acetic acid

C26H22O18 (622.0806)

methyl (1r,7r,8s,17s)-4-chloro-8,11,15,18,22,25-hexahydroxy-29-methyl-13,20,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,11,14,18,21,23,25,28-nonaene-7-carboxylate

C31H23ClO12 (622.0878)

2-{2-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-5-hydroxy-3-(2,4,6-trihydroxyphenoxy)phenoxy}benzene-1,3,5-triol

C30H22O15 (622.0959)

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)

3-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-oxofuro[3,2-c]pyran-3-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione

C33H18O13 (622.0747)

methyl 4-chloro-8,13,15,20,22,25-hexahydroxy-29-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate

C31H23ClO12 (622.0878)

(5s,12s,13s,16s)-12-(4,4-dichloropentyl)-5-hydroxy-16-(2-hydroxypropan-2-yl)-4,4,13-trimethyl-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.1⁶,⁹]henicosa-1(19),6(21),8,17(20)-tetraene-2,10,14-trione

C25H32Cl2N2O8S2 (622.0977)

[(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)

4'-{4-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-2,6-dihydroxyphenoxy}-[1,1'-biphenyl]-2,2',4,6,6'-pentol

C30H22O15 (622.0959)

[16,17,20-trihydroxy-7-(hydroxymethyl)-2,10,13-trioxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,14-tetraoxatetracyclo[10.6.1.1⁴,⁸.0¹⁵,¹⁹]icosa-1(18),15(19),16-trien-11-yl]acetic acid

C26H22O18 (622.0806)

3-[2-(3,4-dihydroxyphenyl)-6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-oxofuro[3,2-c]pyran-3-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione

C33H18O13 (622.0747)

(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)

3-[2-(3,5-dihydroxyphenoxy)-5-hydroxy-3-(2,4,6-trihydroxyphenoxy)phenoxy]-[1,1'-biphenyl]-2,2',4,4',6,6'-hexol

C30H22O15 (622.0959)

8,8-dibromo-6,10,10,14,15,18,21-heptamethyl-23-oxahexacyclo[19.2.1.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-2-ene-4,9,22-trione

C30H40Br2O4 (622.1293)

3-{4-[2-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy}-[1,1'-biphenyl]-2,2',4,4',6,6'-hexol

C30H22O15 (622.0959)

12-(4,4-dichloropentyl)-5-hydroxy-16-(2-hydroxypropan-2-yl)-4,4,13-trimethyl-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.1⁶,⁹]henicosa-1(19),6(21),8,17(20)-tetraene-2,10,14-trione

C25H32Cl2N2O8S2 (622.0977)

methyl 4-chloro-8,11,15,18,22,25-hexahydroxy-29-methyl-13,20,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,11,14,18,21,23,25,28-nonaene-7-carboxylate

C31H23ClO12 (622.0878)

(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)

3'-[2-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-6'-(2,4,6-trihydroxyphenoxy)-[1,1'-biphenyl]-2,2',4,4',6-pentol

C30H22O15 (622.0959)

(1s,5r,6s,11r,14r,15s,18s,21s)-8,8-dibromo-6,10,10,14,15,18,21-heptamethyl-23-oxahexacyclo[19.2.1.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-2-ene-4,9,22-trione

C30H40Br2O4 (622.1293)

(9s,9's)-1,1'-dichloro-2,2',4,4'-tetrahydroxy-7-(hydroxymethyl)-5,5'-dimethoxy-7'-methyl-9h,9'h-[9,9'-bianthracene]-10,10'-dione

C32H24Cl2O9 (622.0797)

(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)

[(4r,5s,7r,8s,11s,12s,20s)-16,17,20-trihydroxy-7-(hydroxymethyl)-2,10,13-trioxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,14-tetraoxatetracyclo[10.6.1.1⁴,⁸.0¹⁵,¹⁹]icosa-1(18),15(19),16-trien-11-yl]acetic acid

C26H22O18 (622.0806)

(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)

3-{4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy}-[1,1'-biphenyl]-2,2',4,4',6,6'-hexol

C30H22O15 (622.0959)

2-(2-{4-[2-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy}-3,5-dihydroxyphenoxy)benzene-1,3,5-triol

C30H22O15 (622.0959)

(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)

3-[2-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-5-(2,4,6-trihydroxyphenyl)-[1,1'-biphenyl]-2,2',4,4',6,6'-hexol

C30H22O15 (622.0959)