EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168911 - 3,4,5-trihydroxy-6-{[(2E)-2-methylbut-2-enoyl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:168911
ChEBI Name3,4,5-trihydroxy-6-{[(2E)-2-methylbut-2-enoyl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O8
Net Charge0
Average Mass276.241
Monoisotopic Mass276.08452
SMILESC/C=C(\C)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C11H16O8/c1-3-4(2)10(17)19-11-7(14)5(12)6(13)8(18-11)9(15)16/h3,5-8,11-14H,1-2H3,(H,15,16)/b4-3+
InChIKeyLQJTWDOUFKWSHC-ONEGZZNKSA-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-{[(2E)-2-methylbut-2-enoyl]oxy}oxane-2-carboxylic acid (CHEBI:168911) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[(E)-2-methylbut-2-enoyl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0129102HMDB