6'-Demethoxypraecansone B

Properties Image MNX_ID MNXM38433 reference chebi:180264 formula C21H20O4 global charge 0 mol weight 336.387 InChIKey NTSLHMYMWQPYFF-LGMDPLHJSA-N InChI InChI=1S/C21H20O4/c1-21(2)12-11-16-19(25-21)10-9-15(20(16)24-3)18(23)13-17(22)14-7-5-4-6-8-14/h4-13,22H,1-3H3/b17-13- SMILES COC1=C(C(=O)/C=C(\O)C2=CC=CC=C2)C=CC2=C1C=CC(C)(C)O2 MNX internals InChI (mnx) InChI=1/C21H20O4/c1-21(2)12-11-16-19(25-21)10-9-15(20(16)24-3)18(23)13-17(22)14-7-5-4-6-8-14/h4-13,22H,1-3H3/b17-13- SMILES (mnx) [CH3:1][C:21]1([CH3:2])[CH:12]=[CH:11][C:16]2=[C:19]([CH:10]=[CH:9][C:15]([C:18](/[CH:13]=[C:17](/[C:14]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)[OH:22])=[O:23])=[C:20]2[O:24][CH3:3])[O:25]1

Parent-child relations graph

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