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CHEBI:188426 - 3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)propoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:188426
ChEBI Name3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)propoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O8
Net Charge0
Average Mass342.344
Monoisotopic Mass342.13147
SMILESCOc1ccc(CCCOC2OC(C(=O)O)C(O)C(O)C2O)cc1
InChIInChI=1S/C16H22O8/c1-22-10-6-4-9(5-7-10)3-2-8-23-16-13(19)11(17)12(18)14(24-16)15(20)21/h4-7,11-14,16-19H,2-3,8H2,1H3,(H,20,21)
InChIKeyPRLNZXBMDQOKQJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS3886)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)propoxy]oxane-2-carboxylic acid (CHEBI:188426) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)propoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135749HMDB