3-O-Methylanhydrotuberosin

Properties Image MNX_ID MNXM36714 reference chebi:166647 formula C21H18O4 global charge 0 mol weight 334.371 InChIKey SZUPCOMPPYQJSI-UHFFFAOYSA-N InChI InChI=1S/C21H18O4/c1-21(2)7-6-12-8-15-16-11-23-18-9-13(22-3)4-5-14(18)20(16)24-19(15)10-17(12)25-21/h4-10H,11H2,1-3H3 SMILES COC1=CC2=C(C=C1)C1=C(CO2)C2=CC3=C(C=C2O1)OC(C)(C)C=C3 MNX internals InChI (mnx) InChI=1/C21H18O4/c1-21(2)7-6-12-8-15-16-11-23-18-9-13(22-3)4-5-14(18)20(16)24-19(15)10-17(12)25-21/h4-10H,11H2,1-3H3 SMILES (mnx) [CH3:1][C:21]1([CH3:2])[CH:7]=[CH:6][C:12]2=[C:17]([CH:10]=[C:19]3[C:15](=[CH:8]2)[C:16]2=[C:20]([C:14]4=[C:18]([CH:9]=[C:13]([O:22][CH3:3])[CH:4]=[CH:5]4)[O:23][CH2:11]2)[O:24]3)[O:25]1

Parent-child relations graph

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