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2-oxospirilloxanthin

Properties

Image

Occurences in reactions

MNX_ID

MNXM5487

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	0

formula

C₄₂H₅₈O₃

charge

mass

610.4386

reference

chebi:64792

InChIKey

AUIMFBMJZYMMRO-MRLRKSOKSA-N

InChI

InChI=1S/C42H58O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-32H,33H2,1-12H3/b14-13+,22-15+,23-16+,26-17+,27-18+,30-19+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+

SMILES

COC(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)/C=C/C=C(C)/C=C/C(=O)C(C)(C)OC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64792 chebi:64792	2-oxospirilloxanthin (3E,3'E)-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-carotene-2-one 2-ketospirilloxanthin Ketospirilloxanthin
kegg.compound:C15884 keggC:C15884	2-Ketospirilloxanthin 2-Oxospirilloxanthin
seed.compound:cpd14615 seedM:cpd14615	2-Ketospirilloxanthin 2-Oxospirilloxanthin 2-keto-spirilloxanthin 2-ketospirilloxanthin 2-oxo-spirilloxanthin 2-oxospirilloxanthin
metacyc.compound:CPD-12616 metacycM:CPD-12616	2-oxospirilloxanthin 2-ketospirilloxanthin
lipidmaps:LMPR01070153 lipidmapsM:LMPR01070153	Ketospirilloxanthin
keggC:M_C15884 seedM:M_cpd14615	secondary/obsolete/fantasy identifier