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CHEBI:168183 - 3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)-4-methylpentan-3-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:168183
ChEBI Name3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)-4-methylpentan-3-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O8
Net Charge0
Average Mass384.425
Monoisotopic Mass384.17842
SMILESCOc1ccc(CCC(OC2OC(C(=O)O)C(O)C(O)C2O)C(C)C)cc1
InChIInChI=1S/C19H28O8/c1-10(2)13(9-6-11-4-7-12(25-3)8-5-11)26-19-16(22)14(20)15(21)17(27-19)18(23)24/h4-5,7-8,10,13-17,19-22H,6,9H2,1-3H3,(H,23,24)
InChIKeyNWONCRSPRJAFPQ-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)-4-methylpentan-3-yl]oxy}oxane-2-carboxylic acid (CHEBI:168183) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[1-(4-methoxyphenyl)-4-methylpentan-3-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0132969HMDB