spirilloxanthin

Properties Image MNX_ID MNXM5931 reference chebi:35328 formula C42H60O2 global charge 0 mol weight 596.94 InChIKey VAZQBTJCYODOSV-HZUCFJANSA-N InChI InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+ 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/CC(C)(C)OC MNX internals InChI (mnx) InChI=1/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+ SMILES (mnx) [CH3:1][C:35](=[CH:21]\[CH:13]=[CH:14]\[CH:22]=[C:36]([CH3:2])\[CH:24]=[CH:16]\[CH:26]=[C:38]([CH3:4])\[CH:28]=[CH:18]\[CH:30]=[C:40]([CH3:6])\[CH:32]=[CH:20]\[CH2:34][C:42]([CH3:9])([CH3:10])[O:44][CH3:12])/[CH:23]=[CH:15]/[CH:25]=[C:37]([CH3:3])/[CH:27]=[CH:17]/[CH:29]=[C:39]([CH3:5])/[CH:31]=[CH:19]/[CH2:33][C:41]([CH3:7])([CH3:8])[O:43][CH3:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 10 in models (compartimentalized) 0