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CHEBI:190769 - 3,4,5-trihydroxy-6-{[3-(3-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:190769
ChEBI Name3,4,5-trihydroxy-6-{[3-(3-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O9
Net Charge0
Average Mass356.327
Monoisotopic Mass356.11073
SMILESCOc1cccc(CCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChIInChI=1S/C16H20O9/c1-23-9-4-2-3-8(7-9)5-6-10(17)24-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-4,7,11-14,16,18-20H,5-6H2,1H3,(H,21,22)
InChIKeyFFBSIEIZLWJCOS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[3-(3-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid (CHEBI:190769) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[3-(3-methoxyphenyl)propanoyloxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0127986HMDB