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CHEBI:168965 - 3,4,5-trihydroxy-6-{[(3E)-4-phenylbut-3-en-2-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:168965
ChEBI Name3,4,5-trihydroxy-6-{[(3E)-4-phenylbut-3-en-2-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O7
Net Charge0
Average Mass324.329
Monoisotopic Mass324.12090
SMILESCC(/C=C/c1ccccc1)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C16H20O7/c1-9(7-8-10-5-3-2-4-6-10)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h2-9,11-14,16-19H,1H3,(H,20,21)/b8-7+
InChIKeyYSWBKMYUFZGFFT-BQYQJAHWSA-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-{[(3E)-4-phenylbut-3-en-2-yl]oxy}oxane-2-carboxylic acid (CHEBI:168965) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[(E)-4-phenylbut-3-en-2-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0133730HMDB