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CHEBI:184161 - 6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:184161
ChEBI Name6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=C(CCc1ccccc1)c1c(O)cc(O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C21H22O10/c22-11-8-13(24)15(12(23)7-6-10-4-2-1-3-5-10)14(9-11)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h1-5,8-9,16-19,21-22,24-27H,6-7H2,(H,28,29)
InChIKeyLHUZFXQWLDHPLQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184161) is a flavonoids (CHEBI:72544)
6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184161) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
74886657ChemSpider
HMDB0128100HMDB