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CHEBI:202096 - Penifulvin B

ChEBI IDCHEBI:202096
ChEBI NamePenifulvin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESC[C@@]1(CO)C[C@]2(C)CC(=O)O[C@H]3OC(=O)[C@@H]4CC[C@@H]1[C@]342
InChIInChI=1S/C15H20O5/c1-13(7-16)6-14(2)5-10(17)19-12-15(14)8(11(18)20-12)3-4-9(13)15/h8-9,12,16H,3-7H2,1-2H3/t8-,9-,12-,13-,14-,15-/m0/s1
InChIKeyJDYIPAACNVDCTH-FBDMWJDESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (17125229)
ChEBI Ontology
Outgoing Relation(s)
Penifulvin B (CHEBI:202096) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1R,4S,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
Manual XrefsDatabases
10166918ChemSpider