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CHEBI:176389 - 6-{[3-(3,4-dihydroxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:176389
ChEBI Name6-{[3-(3,4-dihydroxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O10
Net Charge0
Average Mass358.299
Monoisotopic Mass358.09000
SMILESO=C(CCc1ccc(O)c(O)c1)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C15H18O10/c16-7-3-1-6(5-8(7)17)2-4-9(18)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1,3,5,10-13,15-17,19-21H,2,4H2,(H,22,23)
InChIKeyXMNZFALVPMYZCV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
ChEBI Ontology
Outgoing Relation(s)
6-{[3-(3,4-dihydroxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:176389) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[3-(3,4-dihydroxyphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0124981HMDB