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CHEBI:168956 - 6-(1-carboxy-1-methylethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:168956
ChEBI Name6-(1-carboxy-1-methylethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O9
Net Charge0
Average Mass280.229
Monoisotopic Mass280.07943
SMILESCC(C)(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChIInChI=1S/C10H16O9/c1-10(2,9(16)17)19-8-5(13)3(11)4(12)6(18-8)7(14)15/h3-6,8,11-13H,1-2H3,(H,14,15)(H,16,17)
InChIKeyXZMFCPCQNTYYRH-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-(1-carboxy-1-methylethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168956) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-(2-carboxypropan-2-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0126113HMDB