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1'-Hydroxy-1',2'-dihydro-beta,psi-caroten-4'-one

MNXM147661 is deprecated and replaced by MNXM1135437
PropertiesImage
MNX_IDMNXM1135437 Image of MNXM1135437
referencekeggC:C22346
formulaC40H56O2
global charge0
mol weight568.886
InChIKeyCKMSQCJHPYGPMF-ZXYVVWQQSA-N
InChIInChI=1S/C40H56O2/c1-31(19-13-21-33(3)23-15-24-36(6)38(41)28-30-40(9,10)42)17-11-12-18-32(2)20-14-22-34(4)26-27-37-35(5)25-16-29-39(37,7)8/h11-15,17-24,26-27,42H,16,25,28-30H2,1-10H3/b12-11+,19-13+,20-14+,23-15+,27-26+,31-17+,32-18+,33-21+,34-22+,36-24+
SMILESCC1=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(\C)C(=O)CCC(C)(C)O)C(C)(C)CCC1
MNX internals
InChI (mnx)InChI=1/C40H56O2/c1-31(19-13-21-33(3)23-15-24-36(6)38(41)28-30-40(9,10)42)17-11-12-18-32(2)20-14-22-34(4)26-27-37-35(5)25-16-29-39(37,7)8/h11-15,17-24,26-27,42H,16,25,28-30H2,1-10H3/b12-11+,19-13+,20-14+,23-15+,27-26+,31-17+,32-18+,33-21+,34-22+,36-24+ Image of MNXM1135437
SMILES (mnx)[CH3:1][C:31](=[CH:17]\[CH:11]=[CH:12]\[CH:18]=[C:32]([CH3:2])\[CH:20]=[CH:14]\[CH:22]=[C:34]([CH3:4])\[CH:26]=[CH:27]\[C:37]1=[C:35]([CH3:5])[CH2:25][CH2:16][CH2:29][C:39]1([CH3:7])[CH3:8])/[CH:19]=[CH:13]/[CH:21]=[C:33]([CH3:3])/[CH:23]=[CH:15]/[CH:24]=[C:36](\[CH3:6])[C:38]([CH2:28][CH2:30][C:40]([CH3:9])([CH3:10])[OH:42])=[O:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C22346
keggC:C22346
CKMSQCJHPYGPMF-ZXYVVWQQSA-N 		1'-Hydroxy-1',2'-dihydro-beta,psi-caroten-4'-one

metacyc.compound:CPD-17301
metacycM:CPD-17301
seed.compound:cpd32994
seedM:cpd32994
CKMSQCJHPYGPMF-ZXYVVWQQSA-N 		1'-hydroxy-1',2'-dihydro-beta,psi-caroten-4'-one

keggC:M_C22346
seedM:M_cpd32994 		secondary/obsolete/fantasy identifier