Castillene A

Properties Image MNX_ID MNXM45782 reference chebi:184450 formula C18H14O4 global charge 0 mol weight 294.306 InChIKey ZDPDYRQJYGVUMW-UHFFFAOYSA-N InChI InChI=1S/C18H14O4/c1-20-18(11-12-5-3-2-4-6-12)17(19)14-7-8-15-13(9-10-21-15)16(14)22-18/h2-10H,11H2,1H3 SMILES COC1(CC2=CC=CC=C2)OC2=C(C=CC3=C2C=CO3)C1=O MNX internals InChI (mnx) InChI=1/C18H14O4/c1-20-18(11-12-5-3-2-4-6-12)17(19)14-7-8-15-13(9-10-21-15)16(14)22-18/h2-10H,11H2,1H3/t18? SMILES (mnx) [CH3:1][O:20][C:18]1([CH2:11][C:12]2=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]2)[C:17](=[O:19])[C:14]2=[C:16]([C:13]3=[C:15]([CH:8]=[CH:7]2)[O:21][CH:10]=[CH:9]3)[O:22]1

Parent-child relations graph

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