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CHEBI:209620 - Peniisocoumarin D

ChEBI IDCHEBI:209620
ChEBI NamePeniisocoumarin D
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SubmitterMetaboLights
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FormulaC13H13ClO5
Net Charge0
Average Mass284.695
Monoisotopic Mass284.04515
SMILESCOc1cc(O)c2c(=O)oc(C[C@@H](O)CCl)cc2c1
InChIInChI=1S/C13H13ClO5/c1-18-9-2-7-3-10(4-8(15)6-14)19-13(17)12(7)11(16)5-9/h2-3,5,8,15-16H,4,6H2,1H3/t8-/m1/s1
InChIKeyVFFGPZNMSGJRRP-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29792702)
ChEBI Ontology
Outgoing Relation(s)
Peniisocoumarin D (CHEBI:209620) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[(2R)-3-chloro-2-hydroxypropyl]-8-hydroxy-6-methoxyisochromen-1-one
Manual XrefsDatabases
60596866ChemSpider