7-O-Methylisolupalbigenin

Properties Image MNX_ID MNXM39159 reference chebi:187064 formula C26H28O5 global charge 0 mol weight 420.505 InChIKey XOEJOZMFBLQRCB-UHFFFAOYSA-N InChI InChI=1S/C26H28O5/c1-15(2)6-8-18-12-17(9-11-21(18)27)20-14-31-26-19(10-7-16(3)4)23(30-5)13-22(28)24(26)25(20)29/h6-7,9,11-14,27-28H,8,10H2,1-5H3 SMILES COC1=CC(O)=C2C(=O)C(C3=CC=C(O)C(CC=C(C)C)=C3)=COC2=C1CC=C(C)C MNX internals InChI (mnx) InChI=1/C26H28O5/c1-15(2)6-8-18-12-17(9-11-21(18)27)20-14-31-26-19(10-7-16(3)4)23(30-5)13-22(28)24(26)25(20)29/h6-7,9,11-14,27-28H,8,10H2,1-5H3 SMILES (mnx) [CH3:1][C:15]([CH3:2])=[CH:6][CH2:8][C:18]1=[C:21]([OH:27])[CH:11]=[CH:9][C:17]([C:20]2=[CH:14][O:31][C:26]3=[C:24]([C:22]([OH:28])=[CH:13][C:23]([O:30][CH3:5])=[C:19]3[CH2:10][CH:7]=[C:16]([CH3:3])[CH3:4])[C:25]2=[O:29])=[CH:12]1

Parent-child relations graph

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