calliterpenone

Properties Image MNX_ID MNXM1128549 reference chebi:166992 formula C20H32O3 global charge 0 mol weight 320.473 InChIKey MPDUJZZNNBJFAB-JHSPYMOQSA-N InChI InChI=1S/C20H32O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13-,14-,15+,18-,19-,20-/m0/s1 SMILES CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]13C[C@H](CC[C@@H]12)[C@@](O)(CO)C3 MNX internals InChI (mnx) InChI=1/C20H32O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13-,14-,15+,18-,19-,20-/m0/s1 SMILES (mnx) [CH3:1][C:17]1([CH3:2])[C@@H:14]2[CH2:6][CH2:9][C@@:19]34[CH2:10][C@H:13]([CH2:4][CH2:5][C@@H:15]3[C@@:18]2([CH3:3])[CH2:8][CH2:7][C:16]1=[O:22])[C@:20]([CH2:12][OH:21])([OH:23])[CH2:11]4

Parent-child relations graph

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