pierreione D

Properties Image MNX_ID MNXM107969 reference chebi:68050 formula C26H26O5 global charge 0 mol weight 418.489 InChIKey DFLROMXVXHQDBU-UHFFFAOYSA-N InChI InChI=1S/C26H26O5/c1-16(2)9-11-29-21-7-6-17(13-24(21)28-5)20-15-30-23-14-22-18(12-19(23)25(20)27)8-10-26(3,4)31-22/h6-10,12-15H,11H2,1-5H3 SMILES COC1=C(OCC=C(C)C)C=CC(C2=COC3=CC4=C(C=CC(C)(C)O4)C=C3C2=O)=C1 MNX internals InChI (mnx) InChI=1/C26H26O5/c1-16(2)9-11-29-21-7-6-17(13-24(21)28-5)20-15-30-23-14-22-18(12-19(23)25(20)27)8-10-26(3,4)31-22/h6-10,12-15H,11H2,1-5H3 SMILES (mnx) [CH3:1][C:16]([CH3:2])=[CH:9][CH2:11][O:29][C:21]1=[C:24]([O:28][CH3:5])[CH:13]=[C:17]([C:20]2=[CH:15][O:30][C:23]3=[C:19]([CH:12]=[C:18]4[CH:8]=[CH:10][C:26]([CH3:3])([CH3:4])[O:31][C:22]4=[CH:14]3)[C:25]2=[O:27])[CH:6]=[CH:7]1

Parent-child relations graph

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