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CHEBI:185059 - 3,4,5-trihydroxy-6-(3-hydroxybenzoyloxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:185059
ChEBI Name3,4,5-trihydroxy-6-(3-hydroxybenzoyloxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O9
Net Charge0
Average Mass314.246
Monoisotopic Mass314.06378
SMILESO=C(OC1OC(C(=O)O)C(O)C(O)C1O)c1cccc(O)c1
InChIInChI=1S/C13H14O9/c14-6-3-1-2-5(4-6)12(20)22-13-9(17)7(15)8(16)10(21-13)11(18)19/h1-4,7-10,13-17H,(H,18,19)
InChIKeyNAPPBXXQXKMDNU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-(3-hydroxybenzoyloxy)oxane-2-carboxylic acid (CHEBI:185059) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-(3-hydroxybenzoyl)oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0124995HMDB