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R.g.-Keto I

PropertiesImage
MNX_IDMNXM5915 Image of MNXM5915
referencechebi:80414
formulaC41H58O2
global charge0
mol weight582.913
InChIKeyKAWQESUNKWSPBA-NMWBISKFSA-N
InChIInChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-27-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-28-38(7)29-18-30-39(8)40(42)31-32-41(9,10)43-11/h12-13,15-21,23-30H,14,22,31-32H2,1-11H3/b13-12+,23-15+,24-16+,27-17+,29-18+,34-20+,35-21+,36-25+,37-26+,38-28+,39-30+
SMILESCOC(C)(C)CCC(=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/C=C(\C)CCC=C(C)C
MNX internals
InChI (mnx)InChI=1/C41H58O2/c1-33(2)19-14-22-36(5)25-17-27-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-28-38(7)29-18-30-39(8)40(42)31-32-41(9,10)43-11/h12-13,15-21,23-30H,14,22,31-32H2,1-11H3/b13-12+,23-15+,24-16+,27-17+,29-18+,34-20+,35-21+,36-25+,37-26+,38-28+,39-30+ Image of MNXM5915
SMILES (mnx)[CH3:1][C:33]([CH3:2])=[CH:19][CH2:14][CH2:22]/[C:36]([CH3:5])=[CH:25]/[CH:17]=[CH:27]/[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:28]=[C:38]([CH3:7])/[CH:29]=[CH:18]/[CH:30]=[C:39](\[CH3:8])[C:40]([CH2:31][CH2:32][C:41]([CH3:9])([CH3:10])[O:43][CH3:11])=[O:42]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd14993
seedM:cpd14993
CHEBI:80414
chebi:80414
kegg.compound:C16277
keggC:C16277
KAWQESUNKWSPBA-NMWBISKFSA-N
R.g.-Keto I

lipidmaps:LMPR01070490
lipidmapsM:LMPR01070490
KAWQESUNKWSPBA-NMWBISKFSA-N
R.g.Keto-I
1-Methoxy-1,2-dihydro-psi,psi-caroten-4-one

keggC:M_C16277
seedM:M_cpd14993
secondary/obsolete/fantasy identifier