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CHEBI:184826 - 3,4,5-trihydroxy-6-{[3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)propanoyl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:184826
ChEBI Name3,4,5-trihydroxy-6-{[3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)propanoyl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O12
Net Charge0
Average Mass416.335
Monoisotopic Mass416.09548
SMILESCOc1c(O)c(CCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc2c1OCO2
InChIInChI=1S/C17H20O12/c1-25-14-9(19)6(4-7-13(14)27-5-26-7)2-3-8(18)28-17-12(22)10(20)11(21)15(29-17)16(23)24/h4,10-12,15,17,19-22H,2-3,5H2,1H3,(H,23,24)
InChIKeyVEHJOCXLSTUVKM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)propanoyl]oxy}oxane-2-carboxylic acid (CHEBI:184826) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[3-(6-hydroxy-7-methoxy-1,3-benzodioxol-5-yl)propanoyloxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128731HMDB