Phomapentenone A (CHEBI:207440)

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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	Phomapentenone A

ChEBI ID	CHEBI:207440

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H24O3

Net Charge

Average Mass

240.343

Monoisotopic Mass

240.17254

InChI

InChI=1S/C14H24O3/c1-4-6-12(16)13-10(8-11(15)5-2)7-9(3)14(13)17/h7,10-13,15-16H,4-6,8H2,1-3H3/t10-,11?,12?,13+/m0/s1

InChIKey

LPDQFFNVQREPBA-YWPUVAFDSA-N

SMILES

O=C1C(=C[C@H]([C@@H]1C(O)CCC)CC(O)CC)C

Metabolite of Species	Details
Phomaspecies NRRL 25697 (NCBI:txid696192)	See: PubMed

ChEBI Ontology
Outgoing	Phomapentenone A (CHEBI:207440) is a secondary alcohol (CHEBI:35681)

IUPAC Name

(4R,5R)-5-(1-hydroxybutyl)-4-(2-hydroxybutyl)-2-methylcyclopent-2-en-1-one