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CHEBI:169719 - 3,4,5-trihydroxy-6-[(2-phenylacetyl)oxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:169719
ChEBI Name3,4,5-trihydroxy-6-[(2-phenylacetyl)oxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O8
Net Charge0
Average Mass312.274
Monoisotopic Mass312.08452
SMILESO=C(Cc1ccccc1)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C14H16O8/c15-8(6-7-4-2-1-3-5-7)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h1-5,9-12,14,16-18H,6H2,(H,19,20)
InChIKeyABWSRRGSWCOZTG-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)
3,4,5-trihydroxy-6-[(2-phenylacetyl)oxy]oxane-2-carboxylic acid (CHEBI:169719) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-(2-phenylacetyl)oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0140804HMDB