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CHEBI:209632 - Peniisocoumarin F

ChEBI IDCHEBI:209632
ChEBI NamePeniisocoumarin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H13ClO6
Net Charge0
Average Mass300.694
Monoisotopic Mass300.04007
SMILESCOc1cc(O)c2c(=O)oc(C[C@@H](Cl)CO)cc2c1O
InChIInChI=1S/C13H13ClO6/c1-19-10-4-9(16)11-8(12(10)17)3-7(20-13(11)18)2-6(14)5-15/h3-4,6,15-17H,2,5H2,1H3/t6-/m1/s1
InChIKeyYQDKBMBOGVESDO-ZCFIWIBFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29792702)
ChEBI Ontology
Outgoing Relation(s)
Peniisocoumarin F (CHEBI:209632) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[(2R)-2-chloro-3-hydroxypropyl]-5,8-dihydroxy-6-methoxyisochromen-1-one
Manual XrefsDatabases
71048952ChemSpider