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CHEBI:209614 - Peniisocoumarin C

ChEBI IDCHEBI:209614
ChEBI NamePeniisocoumarin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O6
Net Charge0
Average Mass290.271
Monoisotopic Mass290.07904
SMILESCOc1cc(O)c2c(=O)oc(C[C@@H]3O[C@@H]3C(C)=O)cc2c1
InChIInChI=1S/C15H14O6/c1-7(16)14-12(21-14)6-10-4-8-3-9(19-2)5-11(17)13(8)15(18)20-10/h3-5,12,14,17H,6H2,1-2H3/t12-,14+/m0/s1
InChIKeyJKHQGQJTVDBEGA-GXTWGEPZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29792702)
ChEBI Ontology
Outgoing Relation(s)
Peniisocoumarin C (CHEBI:209614) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[[(2S,3S)-3-acetyloxiran-2-yl]methyl]-8-hydroxy-6-methoxyisochromen-1-one
Manual XrefsDatabases
71048950ChemSpider