4'-O-Methyldavidioside

Properties Image MNX_ID MNXM37039 reference lipidmapsM:LMPK12120447 formula C22H26O9 global charge 0 mol weight 434.441 InChIKey ZZYCSCHEPKHDHN-QMCAAQAGSA-N InChI InChI=1S/C22H26O9/c1-29-14-7-8-15(16(25)9-4-12-2-5-13(24)6-3-12)17(10-14)30-22-21(28)20(27)19(26)18(11-23)31-22/h2-3,5-8,10,18-24,26-28H,4,9,11H2,1H3/t18-,19-,20+,21-,22-/m1/s1 SMILES COC1=CC=C(C(=O)CCC2=CC=C(O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1 MNX internals InChI (mnx) InChI=1/C22H26O9/c1-29-14-7-8-15(16(25)9-4-12-2-5-13(24)6-3-12)17(10-14)30-22-21(28)20(27)19(26)18(11-23)31-22/h2-3,5-8,10,18-24,26-28H,4,9,11H2,1H3/t18-,19-,20+,21-,22-/m1/s1 SMILES (mnx) [CH3:1][O:29][C:14]1=[CH:10][C:17]([O:30][C@H:22]2[C@H:21]([OH:28])[C@@H:20]([OH:27])[C@H:19]([OH:26])[C@@H:18]([CH2:11][OH:23])[O:31]2)=[C:15]([C:16]([CH2:9][CH2:4][C:12]2=[CH:3][CH:6]=[C:13]([OH:24])[CH:5]=[CH:2]2)=[O:25])[CH:8]=[CH:7]1

Parent-child relations graph

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