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CHEBI:204638 - Penicillipyrone B

ChEBI IDCHEBI:204638
ChEBI NamePenicillipyrone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESCc1cc(=O)c2c(o1)O[C@H]1[C@@H](CC[C@H]3C(C)(C)C(=O)CC[C@]13C)C2
InChIInChI=1S/C20H26O4/c1-11-9-14(21)13-10-12-5-6-15-19(2,3)16(22)7-8-20(15,4)17(12)24-18(13)23-11/h9,12,15,17H,5-8,10H2,1-4H3/t12-,15-,17-,20-/m0/s1
InChIKeyCPKRFLHGFOUEQI-GKASHWOUSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (24437979)
ChEBI Ontology
Outgoing Relation(s)
Penicillipyrone B (CHEBI:204638) is a organic heterotricyclic compound (CHEBI:26979)
Penicillipyrone B (CHEBI:204638) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2S,7R,10S)-2,6,6,15-tetramethyl-16,18-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),14-diene-5,13-dione
Manual XrefsDatabases
78437170ChemSpider