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CHEBI:228489 - 3-[3-(beta-D-Glucopyranosyloxy)-2-hydroxyphenyl]propanoic acid

ChEBI IDCHEBI:228489
ChEBI Name3-[3-(beta-D-Glucopyranosyloxy)-2-hydroxyphenyl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O9
Net Charge0
Average Mass344.316
Monoisotopic Mass344.11073
SMILESO=C(O)CCc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
InChIInChI=1S/C15H20O9/c16-6-9-12(20)13(21)14(22)15(24-9)23-8-3-1-2-7(11(8)19)4-5-10(17)18/h1-3,9,12-16,19-22H,4-6H2,(H,17,18)/t9-,12-,13+,14-,15-/m1/s1
InChIKeyJDNUVLAJLPVYNP-SWMGHYKJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
3-[3-(beta-D-Glucopyranosyloxy)-2-hydroxyphenyl]propanoic acid (CHEBI:228489) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
Manual XrefsDatabases
65104352ChemSpider