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CHEBI:209594 - Peniisocoumarin J

ChEBI IDCHEBI:209594
ChEBI NamePeniisocoumarin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12Cl2O6
Net Charge0
Average Mass335.139
Monoisotopic Mass334.00109
SMILESCOc1cc(O)c2c(=O)oc(C[C@@H](O)C(Cl)Cl)cc2c1O
InChIInChI=1S/C13H12Cl2O6/c1-20-9-4-7(16)10-6(11(9)18)2-5(21-13(10)19)3-8(17)12(14)15/h2,4,8,12,16-18H,3H2,1H3/t8-/m1/s1
InChIKeyWABUZBLXDQDBFA-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29792702)
ChEBI Ontology
Outgoing Relation(s)
Peniisocoumarin J (CHEBI:209594) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[(2R)-3,3-dichloro-2-hydroxypropyl]-5,8-dihydroxy-6-methoxyisochromen-1-one
Manual XrefsDatabases
71048955ChemSpider