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CHEBI:190862 - 3,4,5-trihydroxy-6-{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-1-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:190862
ChEBI Name3,4,5-trihydroxy-6-{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-1-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O9
Net Charge0
Average Mass382.365
Monoisotopic Mass382.12638
SMILESCOc1ccc(/C=C/C(=O)CCOC2OC(C(=O)O)C(O)C(O)C2O)cc1
InChIInChI=1S/C18H22O9/c1-25-12-6-3-10(4-7-12)2-5-11(19)8-9-26-18-15(22)13(20)14(21)16(27-18)17(23)24/h2-7,13-16,18,20-22H,8-9H2,1H3,(H,23,24)/b5-2+
InChIKeyZLTQWAYJMINEQV-GORDUTHDSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-1-yl]oxy}oxane-2-carboxylic acid (CHEBI:190862) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[(E)-5-(4-methoxyphenyl)-3-oxopent-4-enoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0132995HMDB