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CHEBI:217496 - 8-hydroxy-3-hydroxymethyl-9-oxo-9H-xanthene-1-carboxylic acid methyl ester

ChEBI IDCHEBI:217496
ChEBI Name8-hydroxy-3-hydroxymethyl-9-oxo-9H-xanthene-1-carboxylic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O6
Net Charge0
Average Mass300.266
Monoisotopic Mass300.06339
SMILESCOC(=O)c1cc(CO)cc2oc3cccc(O)c3c(=O)c12
InChIInChI=1S/C16H12O6/c1-21-16(20)9-5-8(7-17)6-12-13(9)15(19)14-10(18)3-2-4-11(14)22-12/h2-6,17-18H,7H2,1H3
InChIKeyVQOGZZUCGPWKHD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Apiospora montagnei (ncbitaxon:255776) - DOI (10.1016/j.tetlet.2017.03.052)
ChEBI Ontology
Outgoing Relation(s)
8-hydroxy-3-hydroxymethyl-9-oxo-9H-xanthene-1-carboxylic acid methyl ester (CHEBI:217496) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl 8-hydroxy-3-(hydroxymethyl)-9-oxoxanthene-1-carboxylate
Manual XrefsDatabases
78435282ChemSpider