EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185569 - 6-{[3-(2,4-dihydroxy-3-methoxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:185569
ChEBI Name6-{[3-(2,4-dihydroxy-3-methoxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O11
Net Charge0
Average Mass388.325
Monoisotopic Mass388.10056
SMILESCOc1c(O)ccc(CCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)c1O
InChIInChI=1S/C16H20O11/c1-25-13-7(17)4-2-6(9(13)19)3-5-8(18)26-16-12(22)10(20)11(21)14(27-16)15(23)24/h2,4,10-12,14,16-17,19-22H,3,5H2,1H3,(H,23,24)
InChIKeyXEEFOHPCOCITMO-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-{[3-(2,4-dihydroxy-3-methoxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185569) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[3-(2,4-dihydroxy-3-methoxyphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
74886654ChemSpider
HMDB0128053HMDB