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CHEBI:186767 - 6-[4-(2-carboxyethyl)-5-hydroxy-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:186767
ChEBI Name6-[4-(2-carboxyethyl)-5-hydroxy-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O11
Net Charge0
Average Mass388.325
Monoisotopic Mass388.10056
SMILESCOc1cc(CCC(=O)O)c(O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C16H20O11/c1-25-8-4-6(2-3-10(18)19)7(17)5-9(8)26-16-13(22)11(20)12(21)14(27-16)15(23)24/h4-5,11-14,16-17,20-22H,2-3H2,1H3,(H,18,19)(H,23,24)
InChIKeyKNLZSVGSSKYXOH-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)
6-[4-(2-carboxyethyl)-5-hydroxy-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:186767) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[4-(2-carboxyethyl)-5-hydroxy-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128041HMDB