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2,2-dihydroxyspheroidene

PropertiesImage
MNX_IDMNXM147702 Image of MNXM147702
referencechebi:91223
formulaC41H60O3
global charge0
mol weight600.928
InChIKeyYCYFTLOJTFQQOD-FZFXUSNISA-N
InChIInChI=1S/C41H60O3/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)31-32-41(42,43)40(9,10)44-11/h12-13,15-16,18-21,23-27,29-32,42-43H,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+
SMILESCOC(C)(C)C(O)(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/C41H60O3/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)31-32-41(42,43)40(9,10)44-11/h12-13,15-16,18-21,23-27,29-32,42-43H,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+ Image of MNXM147702
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:41]([C:40]([CH3:9])([CH3:10])[O:44][CH3:11])([OH:42])[OH:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:91223
chebi:91223
YCYFTLOJTFQQOD-FZFXUSNISA-N
2,2-dihydroxyspheroidene
(3E)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-caroten-2,2-diol

metacyc.compound:CPD-16860
metacycM:CPD-16860
seed.compound:cpd35050
seedM:cpd35050
YCYFTLOJTFQQOD-FZFXUSNISA-N
2,2-dihydroxyspheroidene
spheroiden-2,2-diol

seedM:M_cpd35050
secondary/obsolete/fantasy identifier