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

Properties Image MNX_ID MNXM117262 reference chebi:175966 formula C24H22O14 global charge 0 mol weight 534.426 InChIKey MRRDNEKQNDQHAF-UHFFFAOYSA-N InChI InChI=1S/C24H22O14/c1-32-9-4-3-8(5-10(9)33-2)19-21(37-24-18(29)16(27)17(28)22(38-24)23(30)31)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) SMILES COC1=C(OC)C=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(C=C4OCOC4=C3O)O2)C=C1 MNX internals InChI (mnx) InChI=1/C24H22O14/c1-32-9-4-3-8(5-10(9)33-2)19-21(37-24-18(29)16(27)17(28)22(38-24)23(30)31)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? SMILES (mnx) [CH3:1][O:32][C:9]1=[C:10]([O:33][CH3:2])[CH:5]=[C:8]([C:19]2=[C:21]([O:37][CH:24]3[CH:18]([OH:29])[CH:16]([OH:27])[CH:17]([OH:28])[CH:22]([C:23](=[O:30])[OH:31])[O:38]3)[C:15](=[O:26])[C:13]3=[C:14]([OH:25])[C:20]4=[C:12]([CH:6]=[C:11]3[O:36]2)[O:34][CH2:7][O:35]4)[CH:3]=[CH:4]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0