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CHEBI:187041 - 5,7,2'-Trihydroxyflavanone 7-glucoside

ChEBI IDCHEBI:187041
ChEBI Name5,7,2'-Trihydroxyflavanone 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=C1CC(c2ccccc2O)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21
InChIInChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-9-5-12(24)17-13(25)7-14(30-15(17)6-9)10-3-1-2-4-11(10)23/h1-6,14,16,18-24,26-28H,7-8H2
InChIKeyWXANVFPYSSGKNA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5,7,2'-Trihydroxyflavanone 7-glucoside (CHEBI:187041) is a flavonoids (CHEBI:72544)
5,7,2'-Trihydroxyflavanone 7-glucoside (CHEBI:187041) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(2-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846277ChemSpider
LMPK12140108LIPID MAPS