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CHEBI:211834 - Setosphaerine A

ChEBI IDCHEBI:211834
ChEBI NameSetosphaerine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19ClO6
Net Charge0
Average Mass342.775
Monoisotopic Mass342.08702
SMILESCCCC(O)CC(O)Cc1cc2c(Cl)c(O)cc(O)c2c(=O)o1
InChIInChI=1S/C16H19ClO6/c1-2-3-8(18)4-9(19)5-10-6-11-14(16(22)23-10)12(20)7-13(21)15(11)17/h6-9,18-21H,2-5H2,1H3
InChIKeyOIAOFCWHXJHRET-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Exserohilum rostratum (ncbitaxon:1659837) - DOI (10.1177/1934578X19860014)
ChEBI Ontology
Outgoing Relation(s)
Setosphaerine A (CHEBI:211834) is a isocoumarins (CHEBI:38758)
IUPAC Name 
5-chloro-3-(2,4-dihydroxyheptyl)-6,8-dihydroxyisochromen-1-one