ent-9-J1-PhytoP (CHEBI:169720)

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CHEBI:169720 - ent-9-J1-PhytoP

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ChEBI ID	CHEBI:169720
ChEBI Name	ent-9-J1-PhytoP
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H28O4
Net Charge	0
Average Mass	308.418
Monoisotopic Mass	308.19876
SMILES	CC[C@@H]1C(=O)C=C[C@@H]1/C=C/[C@H](O)CCCCCCCC(=O)O
InChI	InChI=1S/C18H28O4/c1-2-16-14(11-13-17(16)20)10-12-15(19)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-10+/t14-,15+,16-/m0/s1
InChIKey	MYTDGCAXWORFIK-SQNCARSOSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	ent-9-J1-PhytoP (CHEBI:169720) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(E,9R)-11-[(1S,5S)-5-ethyl-4-oxocyclopent-2-en-1-yl]-9-hydroxyundec-10-enoic acid

Manual Xrefs	Databases
LMFA02030073	LIPID MAPS