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CHEBI:201332 - Penifulvin E

ChEBI IDCHEBI:201332
ChEBI NamePenifulvin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCC1(C)C[C@]2(C)CC(=O)O[C@H]3OC(=O)[C@@H]4[C@@H](O)C[C@@H]1[C@]342
InChIInChI=1S/C15H20O5/c1-13(2)6-14(3)5-9(17)19-12-15(14)8(13)4-7(16)10(15)11(18)20-12/h7-8,10,12,16H,4-6H2,1-3H3/t7-,8-,10-,12-,14-,15+/m0/s1
InChIKeyWCGQSACAGPUTQJ-UADRLTJBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (17125229)
ChEBI Ontology
Outgoing Relation(s)
Penifulvin E (CHEBI:201332) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1S,4S,8R,11S,13S,14S)-13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
Manual XrefsDatabases
10166915ChemSpider