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CHEBI:169240 - 3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)-3-oxopentan-2-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:169240
ChEBI Name3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)-3-oxopentan-2-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O9
Net Charge0
Average Mass384.381
Monoisotopic Mass384.14203
SMILESCCC(=O)C(Cc1ccc(OC)cc1)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C18H24O9/c1-3-11(19)12(8-9-4-6-10(25-2)7-5-9)26-18-15(22)13(20)14(21)16(27-18)17(23)24/h4-7,12-16,18,20-22H,3,8H2,1-2H3,(H,23,24)
InChIKeyDKYVWBIYHFJSRE-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-{[1-(4-methoxyphenyl)-3-oxopentan-2-yl]oxy}oxane-2-carboxylic acid (CHEBI:169240) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[1-(4-methoxyphenyl)-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0133005HMDB