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4'-hydroxyechinenone

MNXM722959 is deprecated and here replaced by MNXM1368195
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368195 Image of MNXM1368195
referencechebi:140610
formulaC40H54O2
global charge0
mol weight566.87
InChIKeyRONAGRFBGGXGHB-DKLMTRRASA-N
InChIInChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(O)CCC2(C)C)C(C)(C)CCC1=O
MNX internals
InChI (mnx)InChI=1/C40H54O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t37? Image of MNXM1368195
SMILES (mnx)[CH3:1][C:29](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:30]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:32]([CH3:4])\[CH:22]=[CH:24]\[C:36]1=[C:34]([CH3:6])[C:38](=[O:42])[CH2:26][CH2:28][C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:31]([CH3:3])/[CH:21]=[CH:23]/[C:35]1=[C:33]([CH3:5])[CH:37]([OH:41])[CH2:25][CH2:27][C:39]1([CH3:7])[CH3:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-17652
metacycM:CPD-17652
seed.compound:cpd33828
seedM:cpd33828
CHEBI:140610
chebi:140610
SLM:000598113
slm:000598113
RONAGRFBGGXGHB-DKLMTRRASA-N 		4'-hydroxyechinenone

seed.compound:cpd31795
seedM:cpd31795
RONAGRFBGGXGHB-DKLMTRRASA-N 		3,4-didehydroisozeaxanthin
4,4'-dihydro-3,4,-didehydro-beta,beta-carotene

lipidmaps:LMPR01070778
lipidmapsM:LMPR01070778
RONAGRFBGGXGHB-DKLMTRRASA-N 		4'-Hydroxyechinenone
4'-Hydroxy-beta,beta-caroten-4-one

seedM:M_cpd31795
seedM:M_cpd33828 		secondary/obsolete/fantasy identifier