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CHEBI:206414 - Penicillisocoumarin D

ChEBI IDCHEBI:206414
ChEBI NamePenicillisocoumarin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESC[C@]1(O)CCC[C@@H]2OC(=O)c3c(O)cccc3[C@@H]21
InChIInChI=1S/C14H16O4/c1-14(17)7-3-6-10-12(14)8-4-2-5-9(15)11(8)13(16)18-10/h2,4-5,10,12,15,17H,3,6-7H2,1H3/t10-,12-,14-/m0/s1
InChIKeyFDFWOUUDKZLVLS-JKOKRWQUSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28698959)
ChEBI Ontology
Outgoing Relation(s)
Penicillisocoumarin D (CHEBI:206414) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(1S,4aS,10bS)-1,7-dihydroxy-1-methyl-3,4,4a,10b-tetrahydro-2H-benzo[c]chromen-6-one
Manual XrefsDatabases
63002611ChemSpider