spheroiden-2-one

Properties Image MNX_ID MNXM6437 reference chebi:62480 formula C41H58O2 global charge 0 mol weight 582.913 InChIKey ZQFURSYWJPLAJR-FZFXUSNISA-N InChI InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+ SMILES COC(C)(C)C(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C MNX internals InChI (mnx) InChI=1/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+ SMILES (mnx) [CH3:1][C:33]([CH3:2])=[CH:19][CH2:14][CH2:22]/[C:36]([CH3:5])=[CH:25]/[CH2:17][CH2:28]/[C:37]([CH3:6])=[CH:26]/[CH:15]=[CH:23]/[C:34]([CH3:3])=[CH:20]/[CH:12]=[CH:13]/[CH:21]=[C:35]([CH3:4])/[CH:24]=[CH:16]/[CH:27]=[C:38]([CH3:7])/[CH:29]=[CH:18]/[CH:30]=[C:39]([CH3:8])/[CH:31]=[CH:32]/[C:40]([C:41]([CH3:9])([CH3:10])[O:43][CH3:11])=[O:42]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 0