2',2'-dihydroxy-2-oxospirilloxanthin (CHEBI:91230)

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CHEBI:91230 - 2',2'-dihydroxy-2-oxospirilloxanthin

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ChEBI ID	CHEBI:91230
ChEBI Name	2',2'-dihydroxy-2-oxospirilloxanthin
Stars
Definition	A carotenoid ether that is spirilloxanthin carrying an oxo group at position 2 as well as two hydroxy group, both at position 2'.
Last Modified	11 April 2016
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C42H58O5
Net Charge	0
Average Mass	642.921
Monoisotopic Mass	642.42842
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
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+
InChIKey	PMHQKXGSEPQTLQ-MRPVJXBNSA-N

ChEBI Ontology

Outgoing Relation(s)
	2',2'-dihydroxy-2-oxospirilloxanthin (CHEBI:91230) has functional parent spirilloxanthin (CHEBI:35328)
	2',2'-dihydroxy-2-oxospirilloxanthin (CHEBI:91230) is a carotenoid ether (CHEBI:35329)
	2',2'-dihydroxy-2-oxospirilloxanthin (CHEBI:91230) is a carotenol (CHEBI:23045)
	2',2'-dihydroxy-2-oxospirilloxanthin (CHEBI:91230) is a carotenone (CHEBI:35310)
	2',2'-dihydroxy-2-oxospirilloxanthin (CHEBI:91230) is a ketone hydrate (CHEBI:63734)

IUPAC Name
(3E,3'E)-2',2'-dihydroxy-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-caroten-2-one

Synonym	Source
2,2-dihydroxy-2'-oxospirilloxanthin	SUBMITTER

UniProt Name	Source
2',2'-dihydroxy-2-oxospirilloxanthin	UniProt

Manual Xrefs	Databases
CPD-16864	MetaCyc