2-oxospirilloxanthin

Properties Image MNX_ID MNXM5487 reference chebi:64792 formula C42H58O3 global charge 0 mol weight 610.923 InChIKey AUIMFBMJZYMMRO-MRLRKSOKSA-N InChI InChI=1S/C42H58O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-32H,33H2,1-12H3/b14-13+,22-15+,23-16+,26-17+,27-18+,30-19+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+ SMILES COC(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/C=C(C)/C=C/C=C(C)/C=C/C(=O)C(C)(C)OC MNX internals InChI (mnx) InChI=1/C42H58O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-32H,33H2,1-12H3/b14-13+,22-15+,23-16+,26-17+,27-18+,30-19+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+ SMILES (mnx) [CH3:1][C:34](=[CH:20]\[CH:13]=[CH:14]\[CH:21]=[C:35]([CH3:2])\[CH:23]=[CH:16]\[CH:25]=[C:37]([CH3:4])\[CH:27]=[CH:18]\[CH:29]=[C:39]([CH3:6])\[CH:31]=[CH:32]\[C:40]([C:42]([CH3:9])([CH3:10])[O:45][CH3:12])=[O:43])/[CH:22]=[CH:15]/[CH:24]=[C:36]([CH3:3])/[CH:26]=[CH:17]/[CH:28]=[C:38]([CH3:5])/[CH:30]=[CH:19]/[CH2:33][C:41]([CH3:7])([CH3:8])[O:44][CH3:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 16 in models (compartimentalized) 0