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CHEBI:91229 - 2'-hydroxy-2-oxospirilloxanthin

ChEBI IDCHEBI:91229
ChEBI Name2'-hydroxy-2-oxospirilloxanthin
Stars
DefinitionA carotenoid ether that is spirilloxanthin substituted at positions 2 and 2' by oxo and hydroxy groups respectively.
Last Modified11 April 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC42H58O4
Net Charge0
Average Mass626.922
Monoisotopic Mass626.43351
SMILESCOC(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)C(C)(C)OC
InChIInChI=1S/C42H58O4/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-39(43)41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-40(44)42(9,10)46-12/h13-32,39,43H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
InChIKeyUMEYQXNKNUVLNE-YDDLGYPNSA-N
ChEBI Ontology
Outgoing Relation(s)
2'-hydroxy-2-oxospirilloxanthin (CHEBI:91229) has functional parent spirilloxanthin (CHEBI:35328)
2'-hydroxy-2-oxospirilloxanthin (CHEBI:91229) is a carotenoid ether (CHEBI:35329)
2'-hydroxy-2-oxospirilloxanthin (CHEBI:91229) is a carotenol (CHEBI:23045)
2'-hydroxy-2-oxospirilloxanthin (CHEBI:91229) is a carotenone (CHEBI:35310)
IUPAC Name 
(3E,3'E)-2'-hydroxy-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-caroten-2-one
Synonym  Source
2-hydroxy-2'-oxospirilloxanthinSUBMITTER
UniProt Name  Source
2'-hydroxy-2-oxospirilloxanthinUniProt
Manual XrefsDatabases
CPD-16863MetaCyc