ent-9-A1-PhytoP (CHEBI:192965)

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CHEBI:192965 - ent-9-A1-PhytoP

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ChEBI ID	CHEBI:192965
ChEBI Name	ent-9-A1-PhytoP
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H28O4
Net Charge	0
Average Mass	308.418
Monoisotopic Mass	308.19876
SMILES	CC[C@@H]1C=CC(=O)[C@@H]1/C=C/[C@H](O)CCCCCCCC(=O)O
InChI	InChI=1S/C18H28O4/c1-2-14-10-13-17(20)16(14)12-11-15(19)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-11+/t14-,15-,16-/m1/s1
InChIKey	GSIHBOIIJFLKIL-DJVMPUSXSA-N

Species of Metabolite	Component	Source	Comments
Cryptomeria (ncbitaxon:3368)	needle (BTO:0000917)	MetaboLights (MTBLS3183)	Strain: Cryptomeria fortunei Hooibrenk

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	ent-9-A1-PhytoP (CHEBI:192965) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(E,9R)-11-[(1R,2R)-2-ethyl-5-oxocyclopent-3-en-1-yl]-9-hydroxyundec-10-enoic acid

Manual Xrefs	Databases
113369278	ChemSpider
LMFA02030065	LIPID MAPS