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CHEBI:168827 - 6-(benzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168827
ChEBI Name6-(benzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O8
Net Charge0
Average Mass298.247
Monoisotopic Mass298.06887
SMILESO=C(OC1OC(C(=O)O)C(O)C(O)C1O)c1ccccc1
InChIInChI=1S/C13H14O8/c14-7-8(15)10(11(17)18)20-13(9(7)16)21-12(19)6-4-2-1-3-5-6/h1-5,7-10,13-16H,(H,17,18)
InChIKeyNLOPFVNXNMEEDI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
6-(benzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168827) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-benzoyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125176HMDB