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CHEBI:179661 - Xanthurenate-8-O-beta-D-glucoside

ChEBI IDCHEBI:179661
ChEBI NameXanthurenate-8-O-beta-D-glucoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17NO9
Net Charge0
Average Mass367.310
Monoisotopic Mass367.09033
SMILESO=C(O)c1cc(=O)c2cccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c2n1
InChIInChI=1S/C16H17NO9/c18-5-10-12(20)13(21)14(22)16(26-10)25-9-3-1-2-6-8(19)4-7(15(23)24)17-11(6)9/h1-4,10,12-14,16,18,20-22H,5H2,(H,17,19)(H,23,24)/t10-,12+,13+,14+,16-/m1/s1
InChIKeyMYFHOUJDPFBJLH-XGJKELJWSA-N
ChEBI Ontology
Outgoing Relation(s)
Xanthurenate-8-O-beta-D-glucoside (CHEBI:179661) is a glycoside (CHEBI:24400)
IUPAC Name 
4-oxo-8-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinoline-2-carboxylic acid
Manual XrefsDatabases
30776690ChemSpider
HMDB0013118HMDB