EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169254 - 6-{[3-(2,4-dihydroxy-5-methoxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:169254
ChEBI Name6-{[3-(2,4-dihydroxy-5-methoxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O11
Net Charge0
Average Mass388.325
Monoisotopic Mass388.10056
SMILESCOc1cc(CCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)c(O)cc1O
InChIInChI=1S/C16H20O11/c1-25-9-4-6(7(17)5-8(9)18)2-3-10(19)26-16-13(22)11(20)12(21)14(27-16)15(23)24/h4-5,11-14,16-18,20-22H,2-3H2,1H3,(H,23,24)
InChIKeyUFIAFDHTGOCANO-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)
6-{[3-(2,4-dihydroxy-5-methoxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169254) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[3-(2,4-dihydroxy-5-methoxyphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128042HMDB