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CHEBI:184843 - (2S)-5,6,7-Trihydroxyflavanone 7-glucoside

ChEBI IDCHEBI:184843
ChEBI Name(2S)-5,6,7-Trihydroxyflavanone 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=C1C[C@@H](c2ccccc2)Oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c(O)c21
InChIInChI=1S/C21H22O10/c22-8-14-17(25)19(27)20(28)21(31-14)30-13-7-12-15(18(26)16(13)24)10(23)6-11(29-12)9-4-2-1-3-5-9/h1-5,7,11,14,17,19-22,24-28H,6,8H2/t11-,14?,17+,19-,20?,21+/m0/s1
InChIKeyHQIJUYWKHMVGNK-MJRDTYDWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(2S)-5,6,7-Trihydroxyflavanone 7-glucoside (CHEBI:184843) is a flavonoids (CHEBI:72544)
(2S)-5,6,7-Trihydroxyflavanone 7-glucoside (CHEBI:184843) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S)-5,6-dihydroxy-2-phenyl-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
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24846590ChemSpider