Cedreprenone

Properties Image MNX_ID MNXM45937 reference chebi:180261 formula C21H20O4 global charge 0 mol weight 336.387 InChIKey SFTIQDFUHUUCIC-MDZDMXLPSA-N InChI InChI=1S/C21H20O4/c1-21(2)12-11-15-17(23)13-18(24-3)19(20(15)25-21)16(22)10-9-14-7-5-4-6-8-14/h4-13,23H,1-3H3/b10-9+ SMILES COC1=C(C(=O)/C=C/C2=CC=CC=C2)C2=C(C=CC(C)(C)O2)C(O)=C1 MNX internals InChI (mnx) InChI=1/C21H20O4/c1-21(2)12-11-15-17(23)13-18(24-3)19(20(15)25-21)16(22)10-9-14-7-5-4-6-8-14/h4-13,23H,1-3H3/b10-9+ SMILES (mnx) [CH3:1][C:21]1([CH3:2])[CH:12]=[CH:11][C:15]2=[C:17]([OH:23])[CH:13]=[C:18]([O:24][CH3:3])[C:19]([C:16](/[CH:10]=[CH:9]/[C:14]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)=[O:22])=[C:20]2[O:25]1

Parent-child relations graph

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