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CHEBI:169564 - 2-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)propanedioic acid

ChEBI IDCHEBI:169564
ChEBI Name2-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)propanedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O10
Net Charge0
Average Mass280.185
Monoisotopic Mass280.04305
SMILESO=C(O)C1OC(C(C(=O)O)C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C9H12O10/c10-2-3(11)5(1(7(13)14)8(15)16)19-6(4(2)12)9(17)18/h1-6,10-12H,(H,13,14)(H,15,16)(H,17,18)
InChIKeyXLTABVBFTXNXGH-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)
2-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)propanedioic acid (CHEBI:169564) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
2-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)propanedioic acid
Manual XrefsDatabases
HMDB0127483HMDB