Thiothece-474

Properties Image MNX_ID MNXM7804 reference chebi:80416 formula C41H58O2 global charge 0 mol weight 582.913 InChIKey VOXGPKABGLVWPB-XBIRMVLJSA-N InChI InChI=1S/C41H58O2/c1-32(20-14-22-34(3)24-16-25-37(6)39(42)29-31-41(9,10)43-11)18-12-13-19-33(2)21-15-23-35(4)27-28-38-36(5)26-17-30-40(38,7)8/h12-16,18-25,27-28H,17,26,29-31H2,1-11H3/b13-12+,20-14+,21-15+,24-16+,28-27+,32-18+,33-19+,34-22+,35-23+,37-25+ SMILES COC(C)(C)CCC(=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/C1=C(C)CCCC1(C)C MNX internals InChI (mnx) InChI=1/C41H58O2/c1-32(20-14-22-34(3)24-16-25-37(6)39(42)29-31-41(9,10)43-11)18-12-13-19-33(2)21-15-23-35(4)27-28-38-36(5)26-17-30-40(38,7)8/h12-16,18-25,27-28H,17,26,29-31H2,1-11H3/b13-12+,20-14+,21-15+,24-16+,28-27+,32-18+,33-19+,34-22+,35-23+,37-25+ SMILES (mnx) [CH3:1][C:32](=[CH:18]\[CH:12]=[CH:13]\[CH:19]=[C:33]([CH3:2])\[CH:21]=[CH:15]\[CH:23]=[C:35]([CH3:4])\[CH:27]=[CH:28]\[C:38]1=[C:36]([CH3:5])[CH2:26][CH2:17][CH2:30][C:40]1([CH3:7])[CH3:8])/[CH:20]=[CH:14]/[CH:22]=[C:34]([CH3:3])/[CH:24]=[CH:16]/[CH:25]=[C:37](\[CH3:6])[C:39]([CH2:29][CH2:31][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) 5 in models (compartimentalized) 0