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CHEBI:193384 - 3,4,5-trihydroxy-6-{[5-(4-methoxyphenyl)-2-methyl-3-oxopentan-2-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:193384
ChEBI Name3,4,5-trihydroxy-6-{[5-(4-methoxyphenyl)-2-methyl-3-oxopentan-2-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O9
Net Charge0
Average Mass398.408
Monoisotopic Mass398.15768
SMILESCOc1ccc(CCC(=O)C(C)(C)OC2OC(C(=O)O)C(O)C(O)C2O)cc1
InChIInChI=1S/C19H26O9/c1-19(2,12(20)9-6-10-4-7-11(26-3)8-5-10)28-18-15(23)13(21)14(22)16(27-18)17(24)25/h4-5,7-8,13-16,18,21-23H,6,9H2,1-3H3,(H,24,25)
InChIKeyCMASJDXQJZXJPI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[5-(4-methoxyphenyl)-2-methyl-3-oxopentan-2-yl]oxy}oxane-2-carboxylic acid (CHEBI:193384) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[5-(4-methoxyphenyl)-2-methyl-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid