Hynapene B (CHEBI:216682)

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CHEBI:216682 - Hynapene B

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ChEBI ID	CHEBI:216682
ChEBI Name	Hynapene B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H24O3
Net Charge	0
Average Mass	288.387
Monoisotopic Mass	288.17254
SMILES	CC1=C(/C=C/C=C/C(=O)O)C2C(C)CC(C)CC2CC1=O
InChI	InChI=1S/C18H24O3/c1-11-8-12(2)18-14(9-11)10-16(19)13(3)15(18)6-4-5-7-17(20)21/h4-7,11-12,14,18H,8-10H2,1-3H3,(H,20,21)/b6-4+,7-5+
InChIKey	NLOFDOOJCSGCEJ-YDFGWWAZSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (8294243)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Hynapene B (CHEBI:216682) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E,4E)-5-(2,6,8-trimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl)penta-2,4-dienoic acid

Manual Xrefs	Databases
4947682	ChemSpider