Bupleuonol (CHEBI:229073)

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CHEBI:229073 - Bupleuonol

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ChEBI ID	CHEBI:229073
ChEBI Name	Bupleuonol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H22O2
Net Charge	0
Average Mass	270.372
Monoisotopic Mass	270.16198
SMILES	CCCC(=O)CC/C=C/C=C/C#CC#CC/C=C\CO
InChI	InChI=1S/C18H22O2/c1-2-15-18(20)16-13-11-9-7-5-3-4-6-8-10-12-14-17-19/h5,7,9,11-12,14,19H,2,10,13,15-17H2,1H3/b7-5+,11-9+,14-12-
InChIKey	ZFOBEJMRESDBPQ-XHWFXLNJSA-N

Species of Metabolite	Component	Source	Comments
Zea mays (ncbitaxon:4577)	exometabolome	MetaboLights (MTBLS8903)

ChEBI Ontology

Outgoing Relation(s)
	Bupleuonol (CHEBI:229073) is a long-chain fatty alcohol (CHEBI:17135)

IUPAC Name
(7E,9E,16Z)-18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one

Manual Xrefs	Databases
4474829	ChemSpider