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CHEBI:181689 - 3-(3-Chloro-1,2-dihydroxypropyl)-8-hydroxy-6-methoxyisochromen-1-one

ChEBI IDCHEBI:181689
ChEBI Name3-(3-Chloro-1,2-dihydroxypropyl)-8-hydroxy-6-methoxyisochromen-1-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H13ClO6
Net Charge0
Average Mass300.694
Monoisotopic Mass300.04007
SMILESCOc1cc(O)c2c(=O)oc(C(O)C(O)CCl)cc2c1
InChIInChI=1S/C13H13ClO6/c1-19-7-2-6-3-10(12(17)9(16)5-14)20-13(18)11(6)8(15)4-7/h2-4,9,12,15-17H,5H2,1H3
InChIKeyFJYFQXJJSFYJQV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(3-Chloro-1,2-dihydroxypropyl)-8-hydroxy-6-methoxyisochromen-1-one (CHEBI:181689) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-(3-chloro-1,2-dihydroxypropyl)-8-hydroxy-6-methoxyisochromen-1-one
Manual XrefsDatabases
78741609ChemSpider