3,4,11′,12′-tetrahydrospheroidene (CHEBI:199804)

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CHEBI:199804 - 3,4,11′,12′-tetrahydrospheroidene

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ChEBI ID	CHEBI:199804
ChEBI Name	3,4,11′,12′-tetrahydrospheroidene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C41H64O
Net Charge	0
Average Mass	572.962
Monoisotopic Mass	572.49572
SMILES	COC(C)(C)CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChI	InChI=1S/C41H64O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,16,18,20-22,25-28,30-31H,14-15,17,19,23-24,29,32-33H2,1-11H3/b13-12+,25-16+,30-18+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
InChIKey	BISHVLROUFQUDS-LYYKGUCYSA-N

Species of Metabolite	Component	Source	Comments
Rhodospirillum rubrum (ncbitaxon:1085)	-	DOI (10.1039/j39690001266)

ChEBI Ontology

Outgoing Relation(s)
	3,4,11′,12′-tetrahydrospheroidene (CHEBI:199804) is a xanthophyll (CHEBI:27325)

IUPAC Name
(6E,10E,14E,16E,18E,20E,22E,24E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene

Manual Xrefs	Databases
59700378	ChemSpider