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CHEBI:176370 - 6-{3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:176370
ChEBI Name6-{3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=C(CCc1cccc(OC2OC(C(=O)O)C(O)C(O)C2O)c1)c1cc(O)ccc1O
InChIInChI=1S/C21H22O10/c22-11-5-7-15(24)13(9-11)14(23)6-4-10-2-1-3-12(8-10)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h1-3,5,7-9,16-19,21-22,24-27H,4,6H2,(H,28,29)
InChIKeyDXVCSJFCGCMPOC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
ChEBI Ontology
Outgoing Relation(s)
6-{3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:176370) is a flavonoids (CHEBI:72544)
6-{3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:176370) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135371HMDB