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(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al

MNXM4181 is deprecated and here replaced by MNXM1371703
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371703 Image of MNXM1371703
referencechebi:34597
formulaC25H34O3
global charge0
mol weight382.544
InChIKeyCAXVJDRXJFKYQP-LKODNMENSA-N
InChIInChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1
SMILESC/C(C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
MNX internals
InChI (mnx)InChI=1/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1 Image of MNXM1371703
SMILES (mnx)[CH3:1][C:19](=[CH:10]\[CH:7]=[CH:8]\[CH:11]=[C:21](/[CH3:3])[CH:18]=[O:26])/[CH:12]=[CH:9]/[CH:13]=[C:20]([CH3:2])/[CH:14]=[CH:15]/[C@:25]12[C:23]([CH3:4])([CH3:5])[CH2:16][C@H:22]([OH:27])[CH2:17][C@@:24]1([CH3:6])[O:28]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:34597
chebi:34597
CAXVJDRXJFKYQP-LKODNMENSA-N 		(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al
(2E,4E,6E,8E,10E,12E)-13-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal

SLM:000501104
slm:000501104
CAXVJDRXJFKYQP-LKODNMENSA-N 		(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al
hmdb:HMDB0303974
CAXVJDRXJFKYQP-LKODNMENSA-N 		(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al
(2E,4E,6E,8E,10E,12E)-13-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal
(3S,5R,6S)-5,6-Epoxy-3-hydroxy-5,6-dihydro-12'-apo-b-caroten-12'-al
(3S,5R,6S)-5,6-Epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al
C25-epoxy-apo-aldehyde

lipidmaps:LMPR01070294
lipidmapsM:LMPR01070294
CAXVJDRXJFKYQP-LKODNMENSA-N 		Apo-12'-violaxanthal
(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al

kegg.compound:C14045
keggC:C14045
CAXVJDRXJFKYQP-LKODNMENSA-N 		C25-Epoxy-apo-aldehyde
(3S,5R,6S)-5,6-Epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al

seed.compound:cpd09770
seedM:cpd09770
CAXVJDRXJFKYQP-LKODNMENSA-N 		C25-Epoxy-apo-aldehyde
(3S,5R,6S)-5,6-Epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al
(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al

keggC:M_C14045
seedM:M_cpd09770 		secondary/obsolete/fantasy identifier