Caryoynencin B (CHEBI:221027)

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CHEBI:221027 - Caryoynencin B

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ChEBI ID	CHEBI:221027
ChEBI Name	Caryoynencin B
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Submitter	MetaboLights
Downloads	Molfile

Formula	C18H16O3
Net Charge	0
Average Mass	280.323
Monoisotopic Mass	280.10994
SMILES	C#CC#CC#CC#C/C=C/C=C\[C@@H](O)CCCCC(=O)O
InChI	InChI=1S/C18H16O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,9-11,14,17,19H,12-13,15-16H2,(H,20,21)/b10-9+,14-11-/t17-/m1/s1
InChIKey	GOOGOKNSXZDSND-RCGIBFCTSA-N

Species of Metabolite	Component	Source	Comments
Trinickia caryophylli (ncbitaxon:28094)	-	DOI (10.1016/S0040-4039(00)96437-2)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Caryoynencin B (CHEBI:221027) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(7Z,9E)-6-hydroxyoctadeca-7,9-dien-11,13,15,17-tetraynoic acid

Manual Xrefs	Databases
7822581	ChemSpider
LMFA01030725	LIPID MAPS