Met000248: 5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide

Metabolite Information

Name

5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide

IUPAC Name

(3S,6S)-3,4,5-trihydroxy-6-[4-(9-hydroxy-7-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-methoxyphenoxy]oxane-2-carboxylic acid

Molecular Formula

C24H22O14

Molecular Weight

534.4

Exact Mass

534.1009554

SMILES

COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C4=C(C=C3O2)OCO4)O)OC)OC5C(C(C(C(O5)C(=O)O)O)O)O

InChIKey

SYRSHYBWNZNHHW-OOKBJPBESA-N

InChI

InChI=1S/C24H22O14/c1-32-10-5-8(3-4-9(10)37-24-18(29)16(27)17(28)22(38-24)23(30)31)19-21(33-2)15(26)13-11(36-19)6-12-20(14(13)25)35-7-34-12/h3-6,16-18,22,24-25,27-29H,7H2,1-2H3,(H,30,31)/t16?,17-,18?,22?,24+/m0/s1