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CHEBI:169278 - 3,4,5-trihydroxy-6-{4-[(1E)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-en-1-yl]phenoxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:169278
ChEBI Name3,4,5-trihydroxy-6-{4-[(1E)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-en-1-yl]phenoxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O14
Net Charge0
Average Mass502.425
Monoisotopic Mass502.13226
SMILESO=C(/C=C/c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1)OCC1OC(O)C(O)C(O)C1O
InChIInChI=1S/C21H26O14/c22-11(32-7-10-12(23)13(24)16(27)20(31)34-10)6-3-8-1-4-9(5-2-8)33-21-17(28)14(25)15(26)18(35-21)19(29)30/h1-6,10,12-18,20-21,23-28,31H,7H2,(H,29,30)/b6-3+
InChIKeyNTVOIFUKCCLHMR-ZZXKWVIFSA-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-{4-[(1E)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-en-1-yl]phenoxy}oxane-2-carboxylic acid (CHEBI:169278) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[4-[(E)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-enyl]phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125131HMDB