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CHEBI:209626 - Peniisocoumarin E

ChEBI IDCHEBI:209626
ChEBI NamePeniisocoumarin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H13ClO5
Net Charge0
Average Mass284.695
Monoisotopic Mass284.04515
SMILESCOc1cc(O)c2c(=O)oc(C[C@@H](Cl)CO)cc2c1
InChIInChI=1S/C13H13ClO5/c1-18-9-2-7-3-10(4-8(14)6-15)19-13(17)12(7)11(16)5-9/h2-3,5,8,15-16H,4,6H2,1H3/t8-/m1/s1
InChIKeyCOKWDGVEHMRWDE-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29792702)
ChEBI Ontology
Outgoing Relation(s)
Peniisocoumarin E (CHEBI:209626) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[(2R)-2-chloro-3-hydroxypropyl]-8-hydroxy-6-methoxyisochromen-1-one
Manual XrefsDatabases
71048951ChemSpider