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CHEBI:188165 - (2S)-5,7,3',4'-Tetrahydroxyflavanone 7-glucuronide

ChEBI IDCHEBI:188165
ChEBI Name(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O12
Net Charge0
Average Mass464.379
Monoisotopic Mass464.09548
SMILESO=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3OC(C(=O)O)[C@@H](O)[C@H](O)C3O)cc(O)c21
InChIInChI=1S/C21H20O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-5,13,16-19,21-24,26-28H,6H2,(H,29,30)/t13-,16-,17-,18?,19?,21+/m0/s1
InChIKeyYSORAXGDTRAEMV-XNCXEQQXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-glucuronide (CHEBI:188165) is a flavonoids (CHEBI:72544)
(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-glucuronide (CHEBI:188165) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3S,4S,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
LMPK12140372LIPID MAPS
24846447ChemSpider