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CHEBI:222780 - 2-hydroxy-6-hydroxymethyl-8-methoxy-9-oxo-9H-xanthene-1-carboxylic acid

ChEBI IDCHEBI:222780
ChEBI Name2-hydroxy-6-hydroxymethyl-8-methoxy-9-oxo-9H-xanthene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O7
Net Charge0
Average Mass316.265
Monoisotopic Mass316.05830
SMILESCOc1cc(CO)cc2oc3ccc(O)c(C(=O)O)c3c(=O)c12
InChIInChI=1S/C16H12O7/c1-22-10-4-7(6-17)5-11-13(10)15(19)14-9(23-11)3-2-8(18)12(14)16(20)21/h2-5,17-18H,6H2,1H3,(H,20,21)
InChIKeyWKVDGQDBUCFWBJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies (ncbitaxon:1715255) - PubMed (15381010)
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-6-hydroxymethyl-8-methoxy-9-oxo-9H-xanthene-1-carboxylic acid (CHEBI:222780) is a xanthones (CHEBI:51149)
IUPAC Name 
2-hydroxy-6-(hydroxymethyl)-8-methoxy-9-oxoxanthene-1-carboxylic acid
Manual XrefsDatabases
9453507ChemSpider