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Okenone

Properties

Image

Occurences in reactions

MNX_ID

MNXM12514

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₄₁H₅₄O₂

charge

mass

578.41238

reference

chebi:80417

InChIKey

FSQZIFSGNDUYRQ-TYKRLFMMSA-N

InChI

InChI=1S/C41H54O2/c1-31(19-14-21-33(3)23-16-24-36(6)40(42)29-30-41(9,10)43-11)17-12-13-18-32(2)20-15-22-34(4)25-27-39-28-26-35(5)37(7)38(39)8/h12-28H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,23-16+,27-25+,31-17+,32-18+,33-21+,34-22+,36-24+

SMILES

COC(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/c1ccc(C)c(C)c1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80417 chebi:80417 kegg.compound:C16280 keggC:C16280	Okenone
seed.compound:cpd14996 seedM:cpd14996	Okenone 1'-methoxy-1',2'-dihydro-chi,psi-caroten-4'-one okenone
metacyc.compound:CPD-17304 metacycM:CPD-17304	okenone 1'-methoxy-1',2'-dihydro-chi,psi-caroten-4'-one
keggC:M_C16280 seedM:M_cpd14996	secondary/obsolete/fantasy identifier