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CHEBI:199733 - Quadriseptin A

ChEBI IDCHEBI:199733
ChEBI NameQuadriseptin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O5
Net Charge0
Average Mass248.234
Monoisotopic Mass248.06847
SMILESCCOC(=O)Cc1cc(O)cc2oc(=O)ccc12
InChIInChI=1S/C13H12O5/c1-2-17-13(16)6-8-5-9(14)7-11-10(8)3-4-12(15)18-11/h3-5,7,14H,2,6H2,1H3
InChIKeyJKWXVCHYDSLZLH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Neophaeosphaeria quadriseptata (ncbitaxon:125377) - PubMed (18052326)
ChEBI Ontology
Outgoing Relation(s)
Quadriseptin A (CHEBI:199733) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
ethyl 2-(7-hydroxy-2-oxochromen-5-yl)acetate
Manual XrefsDatabases
78435929ChemSpider