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2-hydroxyspheroidene

PropertiesImage
MNX_IDMNXM148508 Image of MNXM148508
referencechebi:91221
formulaC41H60O2
global charge0
mol weight584.929
InChIKeyIYSJCVOSCTVRGJ-FZFXUSNISA-N
InChIInChI=1S/C41H60O2/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/h12-13,15-16,18-21,23-27,29-32,40,42H,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)/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/C41H60O2/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/h12-13,15-16,18-21,23-27,29-32,40,42H,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+/t40? Image of MNXM148508
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]/[CH:40]([C:41]([CH3:9])([CH3:10])[O:43][CH3:11])[OH:42]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:91221
chebi:91221
IYSJCVOSCTVRGJ-FZFXUSNISA-N
2-hydroxyspheroidene
(3E)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-caroten-2-ol
spheroiden-2-ol

seed.compound:cpd32848
seedM:cpd32848
IYSJCVOSCTVRGJ-FZFXUSNISA-N
2-hydroxyspheroidene
spheroiden-2-ol

metacyc.compound:CPD-16859
metacycM:CPD-16859
IYSJCVOSCTVRGJ-FZFXUSNISA-N
spheroiden-2-ol
2-hydroxyspheroidene

seedM:M_cpd32848
secondary/obsolete/fantasy identifier