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CHEBI:207440 - Phomapentenone A

ChEBI IDCHEBI:207440
ChEBI NamePhomapentenone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24O3
Net Charge0
Average Mass240.343
Monoisotopic Mass240.17254
SMILESCCCC(O)[C@@H]1C(=O)C(C)=C[C@H]1CC(O)CC
InChIInChI=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
InChIKeyLPDQFFNVQREPBA-YWPUVAFDSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies NRRL 25697 (ncbitaxon:696192) - PubMed (11908990)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
78440230ChemSpider