rel-(1R,3E,7E,11S,12R)-14-Oxo-3,7,18-dolabellatriene

Properties Image MNX_ID MNXM108485 reference chebi:69941 formula C20H30O global charge 0 mol weight 286.459 InChIKey RNHJVFUOEQKJEA-OEMINUNOSA-N InChI InChI=1S/C20H30O/c1-14(2)17-13-19(21)20(5)12-11-16(4)8-6-7-15(3)9-10-18(17)20/h7,11,17-18H,1,6,8-10,12-13H2,2-5H3/b15-7+,16-11+/t17-,18-,20+/m0/s1 SMILES C=C(C)[C@@H]1CC(=O)[C@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C20H30O/c1-14(2)17-13-19(21)20(5)12-11-16(4)8-6-7-15(3)9-10-18(17)20/h7,11,17-18H,1,6,8-10,12-13H2,2-5H3/b15-7+,16-11+/t17-,18-,20+/m0/s1 SMILES (mnx) [CH2:1]=[C:14]([CH3:2])[C@@H:17]1[CH2:13][C:19](=[O:21])[C@:20]2([CH3:5])[CH2:12]/[CH:11]=[C:16](\[CH3:4])[CH2:8][CH2:6]/[CH:7]=[C:15](\[CH3:3])[CH2:9][CH2:10][C@@H:18]12

Parent-child relations graph

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