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CHEBI:169385 - 3,4,5-trihydroxy-6-{[5-(4-methoxyphenyl)-3-oxopentan-2-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:169385
ChEBI Name3,4,5-trihydroxy-6-{[5-(4-methoxyphenyl)-3-oxopentan-2-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O9
Net Charge0
Average Mass384.381
Monoisotopic Mass384.14203
SMILESCOc1ccc(CCC(=O)C(C)OC2OC(C(=O)O)C(O)C(O)C2O)cc1
InChIInChI=1S/C18H24O9/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/h3-4,6-7,9,13-16,18,20-22H,5,8H2,1-2H3,(H,23,24)
InChIKeyZCCQYOUAEFNCTO-UHFFFAOYSA-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-{[5-(4-methoxyphenyl)-3-oxopentan-2-yl]oxy}oxane-2-carboxylic acid (CHEBI:169385) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[5-(4-methoxyphenyl)-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0132999HMDB