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CHEBI:189457 - 3-[2-(beta-d-glucopyranosyloxy)-4-methoxyphenyl]propanoic acid

ChEBI IDCHEBI:189457
ChEBI Name3-[2-(beta-d-glucopyranosyloxy)-4-methoxyphenyl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O9
Net Charge0
Average Mass358.343
Monoisotopic Mass358.12638
SMILESCOc1ccc(CCC(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C16H22O9/c1-23-9-4-2-8(3-5-12(18)19)10(6-9)24-16-15(22)14(21)13(20)11(7-17)25-16/h2,4,6,11,13-17,20-22H,3,5,7H2,1H3,(H,18,19)/t11-,13-,14+,15-,16-/m1/s1
InChIKeyLIVNOUBJFOXZOR-YMILTQATSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
3-[2-(beta-d-glucopyranosyloxy)-4-methoxyphenyl]propanoic acid (CHEBI:189457) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
Manual XrefsDatabases
9275569ChemSpider