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CHEBI:223684 - Peniciisocoumarin D

ChEBI IDCHEBI:223684
ChEBI NamePeniciisocoumarin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O5
Net Charge0
Average Mass278.304
Monoisotopic Mass278.11542
SMILESCOc1c(O)ccc2c1C(=O)O[C@H](CCCC(C)=O)C2
InChIInChI=1S/C15H18O5/c1-9(16)4-3-5-11-8-10-6-7-12(17)14(19-2)13(10)15(18)20-11/h6-7,11,17H,3-5,8H2,1-2H3/t11-/m1/s1
InChIKeyIOJVZWHVZJARPN-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30990038)
ChEBI Ontology
Outgoing Relation(s)
Peniciisocoumarin D (CHEBI:223684) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-7-hydroxy-8-methoxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
74832018ChemSpider