CHEBI:188384 - 3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:188384
ChEBI Name3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=C(CCc1ccccc1O)c1cc(O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C21H22O10/c22-11-6-8-15(30-21-18(27)16(25)17(26)19(31-21)20(28)29)12(9-11)14(24)7-5-10-3-1-2-4-13(10)23/h1-4,6,8-9,16-19,21-23,25-27H,5,7H2,(H,28,29)
InChIKeyILDJHNMISBFHHG-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-{4-hydroxy-2-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:188384) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:188384) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[4-hydroxy-2-[3-(2-hydroxyphenyl)propanoyl]phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135380HMDB