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CHEBI:169703 - 3,4,5-trihydroxy-6-{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-2-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:169703
ChEBI Name3,4,5-trihydroxy-6-{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-2-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O9
Net Charge0
Average Mass382.365
Monoisotopic Mass382.12638
SMILESCOc1ccc(/C=C/C(=O)C(C)OC2OC(C(=O)O)C(O)C(O)C2O)cc1
InChIInChI=1S/C18H22O9/c1-9(12(19)8-5-10-3-6-11(25-2)7-4-10)26-18-15(22)13(20)14(21)16(27-18)17(23)24/h3-9,13-16,18,20-22H,1-2H3,(H,23,24)/b8-5+
InChIKeyCQKSJLRVXXPAGW-VMPITWQZSA-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-{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-2-yl]oxy}oxane-2-carboxylic acid (CHEBI:169703) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[(E)-5-(4-methoxyphenyl)-3-oxopent-4-en-2-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0132991HMDB