Carijodienone

Properties Image MNX_ID MNXM103524 reference chebi:70042 formula C21H28O global charge 0 mol weight 296.454 InChIKey WBURTZSEYTVSRX-OPJRWSFGSA-N InChI InChI=1S/C21H28O/c1-4-15-5-6-18-17-8-12-21(11-7-16(22)13-14(21)2)19(17)9-10-20(15,18)3/h4,7,11,13,15,17-19H,1,5-6,8-10,12H2,2-3H3/t15-,17-,18-,19-,20+,21+/m0/s1 SMILES C=C[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(C=CC(=O)C=C4C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C21H28O/c1-4-15-5-6-18-17-8-12-21(11-7-16(22)13-14(21)2)19(17)9-10-20(15,18)3/h4,7,11,13,15,17-19H,1,5-6,8-10,12H2,2-3H3/t15-,17-,18-,19-,20+,21+/m0/s1 SMILES (mnx) [CH2:1]=[CH:4][C@H:15]1[CH2:5][CH2:6][C@H:18]2[C@@H:17]3[CH2:8][CH2:12][C@@:21]4([CH:11]=[CH:7][C:16](=[O:22])[CH:13]=[C:14]4[CH3:2])[C@H:19]3[CH2:9][CH2:10][C@:20]12[CH3:3]

Parent-child relations graph

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