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CHEBI:168438 - 3,4,5-trihydroxy-6-{[5-(4-methoxyphenyl)-2-methyl-3-oxopentyl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:168438
ChEBI Name3,4,5-trihydroxy-6-{[5-(4-methoxyphenyl)-2-methyl-3-oxopentyl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O9
Net Charge0
Average Mass398.408
Monoisotopic Mass398.15768
SMILESCOc1ccc(CCC(=O)C(C)COC2OC(C(=O)O)C(O)C(O)C2O)cc1
InChIInChI=1S/C19H26O9/c1-10(13(20)8-5-11-3-6-12(26-2)7-4-11)9-27-19-16(23)14(21)15(22)17(28-19)18(24)25/h3-4,6-7,10,14-17,19,21-23H,5,8-9H2,1-2H3,(H,24,25)
InChIKeyNAGWNJSPSVYFCT-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)-2-methyl-3-oxopentyl]oxy}oxane-2-carboxylic acid (CHEBI:168438) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[5-(4-methoxyphenyl)-2-methyl-3-oxopentoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0132964HMDB