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CHEBI:169103 - 6-[(2-carboxyacetyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:169103
ChEBI Name6-[(2-carboxyacetyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O10
Net Charge0
Average Mass280.185
Monoisotopic Mass280.04305
SMILESO=C(O)CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C9H12O10/c10-2(11)1-3(12)18-9-6(15)4(13)5(14)7(19-9)8(16)17/h4-7,9,13-15H,1H2,(H,10,11)(H,16,17)
InChIKeyPPFGFNCLQCOJTQ-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-[(2-carboxyacetyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169103) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-(2-carboxyacetyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0127482HMDB