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(3R)-3-hydroxy-8'-apo-beta-carotenal

MNXM6514 is deprecated and here replaced by MNXM739226
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739226 Image of MNXM739226
referencechebi:53159
formulaC30H40O2
global charge0
mol weight432.648
InChIKeyAVPAEFHIEZLSLZ-QCPGYTKSSA-N
InChIInChI=1S/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t28-/m1/s1
SMILESCC1=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)C[C@H](O)C1
MNX internals
InChI (mnx)InChI=1/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t28-/m1/s1 Image of MNXM739226
SMILES (mnx)[CH3:1][C:23](=[CH:12]\[CH:8]=[CH:9]\[CH:13]=[C:24]([CH3:2])\[CH:15]=[CH:11]\[CH:17]=[C:26](/[CH3:4])[CH:22]=[O:31])/[CH:14]=[CH:10]/[CH:16]=[C:25]([CH3:3])/[CH:18]=[CH:19]/[C:29]1=[C:27]([CH3:5])[CH2:20][C@@H:28]([OH:32])[CH2:21][C:30]1([CH3:6])[CH3:7]
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:53159
chebi:53159
AVPAEFHIEZLSLZ-QCPGYTKSSA-N 		(3R)-3-hydroxy-8'-apo-beta-carotenal
(3R)-3-hydroxy-8'-apo-beta-caroten-8'-al
apo-8'-zeaxanthinal
beta-citraurin

sabiork.compound:28482
sabiorkM:28482
AVPAEFHIEZLSLZ-QCPGYTKSSA-N 		(3R)-3-Hydroxy-8'-apo-beta-carotenal

seed.compound:cpd34442
seedM:cpd34442
AVPAEFHIEZLSLZ-QCPGYTKSSA-N 		3beta-hydroxy-8'-apo-beta-carotenal
beta-citraurin

kegg.compound:C20894
keggC:C20894
AVPAEFHIEZLSLZ-QCPGYTKSSA-N 		beta-Citraurin
3-Hydroxy-beta-apo-8'-carotenal
3beta-Hydroxy-8'-apo-beta-carotenal

metacyc.compound:CPD-17216
metacycM:CPD-17216
AVPAEFHIEZLSLZ-QCPGYTKSSA-N 		beta-citraurin
3beta-hydroxy-8'-apo-beta-carotenal

keggC:M_C20894
seedM:M_cpd34442 		secondary/obsolete/fantasy identifier