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CHEBI:193283 - 3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)-4-methyl-3-oxopentan-2-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:193283
ChEBI Name3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)-4-methyl-3-oxopentan-2-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O9
Net Charge0
Average Mass398.408
Monoisotopic Mass398.15768
SMILESCOc1ccc(CC(OC2OC(C(=O)O)C(O)C(O)C2O)C(=O)C(C)C)cc1
InChIInChI=1S/C19H26O9/c1-9(2)13(20)12(8-10-4-6-11(26-3)7-5-10)27-19-16(23)14(21)15(22)17(28-19)18(24)25/h4-7,9,12,14-17,19,21-23H,8H2,1-3H3,(H,24,25)
InChIKeyPXPPRRCLTPDJHZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)-4-methyl-3-oxopentan-2-yl]oxy}oxane-2-carboxylic acid (CHEBI:193283) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[1-(4-methoxyphenyl)-4-methyl-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid