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CHEBI:205307 - Xanthepinone

ChEBI IDCHEBI:205307
ChEBI NameXanthepinone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O8
Net Charge0
Average Mass332.264
Monoisotopic Mass332.05322
SMILESCOC(=O)[C@@]1(O)C(=O)C(C)=COc2oc3cccc(O)c3c(=O)c21
InChIInChI=1S/C16H12O8/c1-7-6-23-14-11(16(21,13(7)19)15(20)22-2)12(18)10-8(17)4-3-5-9(10)24-14/h3-6,17,21H,1-2H3/t16-/m0/s1
InChIKeyFGWWWUNZNJEQQX-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Ascochyta medicaginicola (ncbitaxon:107450) - PubMed (19795903)
ChEBI Ontology
Outgoing Relation(s)
Xanthepinone (CHEBI:205307) is a coumarins (CHEBI:23403)
IUPAC Name 
methyl 5,7-dihydroxy-3-methyl-4,6-dioxooxepino[2,3-b]chromene-5-carboxylate
Manual XrefsDatabases
22194299ChemSpider