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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	ent-9-J1-PhytoP

ChEBI ID	CHEBI:169720

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H28O4

Net Charge

Average Mass

308.418

Monoisotopic Mass

308.19876

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

SMILES

O[C@H](CCCCCCCC(O)=O)\C=C\[C@@H]1[C@H](CC)C(=O)C=C1

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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