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CHEBI:169544 - 3,4,5-trihydroxy-6-[(3-methylbut-2-enoyl)oxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:169544
ChEBI Name3,4,5-trihydroxy-6-[(3-methylbut-2-enoyl)oxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O8
Net Charge0
Average Mass276.241
Monoisotopic Mass276.08452
SMILESCC(C)=CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C11H16O8/c1-4(2)3-5(12)18-11-8(15)6(13)7(14)9(19-11)10(16)17/h3,6-9,11,13-15H,1-2H3,(H,16,17)
InChIKeyDFYVNMKMKCIHDD-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-methylbut-2-enoyl)oxy]oxane-2-carboxylic acid (CHEBI:169544) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-(3-methylbut-2-enoyloxy)oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128920HMDB