Chivotriene (CHEBI:204463)

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CHEBI:204463 - Chivotriene

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ChEBI ID	CHEBI:204463
ChEBI Name	Chivotriene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H34O5
Net Charge	0
Average Mass	354.487
Monoisotopic Mass	354.24062
SMILES	CCC(=O)C[C@@H](O)/C=C/C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)C[C@@H](C)O
InChI	InChI=1S/C20H34O5/c1-5-17(22)13-18(23)11-9-7-6-8-10-14(2)20(25)16(4)19(24)12-15(3)21/h6-11,14-16,18-21,23-25H,5,12-13H2,1-4H3/b7-6+,10-8-,11-9+/t14-,15+,16-,18-,19-,20-/m0/s1
InChIKey	PKZWOSPCXISENT-VJZSSXRISA-N

Species of Metabolite	Component	Source	Comments
Sorangium cellulosum (ncbitaxon:56)	-	DOI (10.1002/ejoc.201000781)

ChEBI Ontology

Outgoing Relation(s)
	Chivotriene (CHEBI:204463) is a long-chain fatty alcohol (CHEBI:17135)

IUPAC Name
(5R,6E,8E,10Z,12S,13S,14S,15S,17R)-5,13,15,17-tetrahydroxy-12,14-dimethyloctadeca-6,8,10-trien-3-one

Manual Xrefs	Databases
28287984	ChemSpider