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CHEBI:169383 - 3,4,5-trihydroxy-6-[(3-methylbutanoyl)oxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:169383
ChEBI Name3,4,5-trihydroxy-6-[(3-methylbutanoyl)oxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O8
Net Charge0
Average Mass278.257
Monoisotopic Mass278.10017
SMILESCC(C)CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C11H18O8/c1-4(2)3-5(12)18-11-8(15)6(13)7(14)9(19-11)10(16)17/h4,6-9,11,13-15H,3H2,1-2H3,(H,16,17)
InChIKeyVOJAALAAOYUSCT-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-[(3-methylbutanoyl)oxy]oxane-2-carboxylic acid (CHEBI:169383) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-(3-methylbutanoyloxy)oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0130798HMDB
26503025ChemSpider