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2',2'-dihydroxy-2-oxospirilloxanthin

Properties

Image

Occurences in reactions

MNX_ID

MNXM147736

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₄₂H₅₈O₅

charge

mass

642.42842

reference

chebi:91230

InChIKey

PMHQKXGSEPQTLQ-MRPVJXBNSA-N

InChI

InChI=1S/C42H58O5/c1-33(21-15-23-35(3)25-17-27-37(5)29-30-39(43)40(7,8)46-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)31-32-42(44,45)41(9,10)47-12/h13-32,44-45H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,30-29+,32-31+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:91230 chebi:91230	2',2'-dihydroxy-2-oxospirilloxanthin (3E,3'E)-2',2'-dihydroxy-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-caroten-2-one 2,2-dihydroxy-2'-oxospirilloxanthin
seed.compound:cpd31661 seedM:cpd31661	2',2'-dihydroxy-2-ketospirilloxanthin 2',2'-dihydroxy-2-oxospirilloxanthin
metacyc.compound:CPD-16864 metacycM:CPD-16864	2',2'-dihydroxy-2-oxospirilloxanthin 2',2'-dihydroxy-2-ketospirilloxanthin
seedM:M_cpd31661	secondary/obsolete/fantasy identifier