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CHEBI:222278 - 8-(methoxycarbonyl)-1-hydroxy-9-oxo-9H-xanthene-3-carboxylic acid

ChEBI IDCHEBI:222278
ChEBI Name8-(methoxycarbonyl)-1-hydroxy-9-oxo-9H-xanthene-3-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H10O7
Net Charge0
Average Mass314.249
Monoisotopic Mass314.04265
SMILESCOC(=O)c1cccc2oc3cc(C(=O)O)cc(O)c3c(=O)c12
InChIInChI=1S/C16H10O7/c1-22-16(21)8-3-2-4-10-12(8)14(18)13-9(17)5-7(15(19)20)6-11(13)23-10/h2-6,17H,1H3,(H,19,20)
InChIKeyKZGBTYFIKLGTBK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (18759333)
ChEBI Ontology
Outgoing Relation(s)
8-(methoxycarbonyl)-1-hydroxy-9-oxo-9H-xanthene-3-carboxylic acid (CHEBI:222278) is a xanthones (CHEBI:51149)
IUPAC Name 
1-hydroxy-8-methoxycarbonyl-9-oxoxanthene-3-carboxylic acid
Manual XrefsDatabases
26949177ChemSpider