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CHEBI:184272 - 3,4,5-trihydroxy-6-[4-hydroxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:184272
ChEBI Name3,4,5-trihydroxy-6-[4-hydroxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O9
Net Charge0
Average Mass418.398
Monoisotopic Mass418.12638
SMILESO=C(CCc1ccccc1)c1cc(O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C21H22O9/c22-12-7-9-15(13(10-12)14(23)8-6-11-4-2-1-3-5-11)29-21-18(26)16(24)17(25)19(30-21)20(27)28/h1-5,7,9-10,16-19,21-22,24-26H,6,8H2,(H,27,28)
InChIKeyGITZIUVITKYUSO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[4-hydroxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid (CHEBI:184272) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-[4-hydroxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid (CHEBI:184272) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[4-hydroxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135366HMDB