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CHEBI:179853 - 2,5,7,4'-Tetrahydroxyflavanone 7-glucoside

ChEBI IDCHEBI:179853
ChEBI Name2,5,7,4'-Tetrahydroxyflavanone 7-glucoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILESO=C1CC(O)(c2ccc(O)cc2)Oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c21
InChIInChI=1S/C21H22O11/c22-8-15-17(26)18(27)19(28)20(31-15)30-11-5-12(24)16-13(25)7-21(29,32-14(16)6-11)9-1-3-10(23)4-2-9/h1-6,15,17-20,22-24,26-29H,7-8H2/t15?,17-,18+,19?,20-,21?/m1/s1
InChIKeyXXYNRADJSINGEO-SSHOXURBSA-N
ChEBI Ontology
Outgoing Relation(s)
2,5,7,4'-Tetrahydroxyflavanone 7-glucoside (CHEBI:179853) is a flavonoids (CHEBI:72544)
2,5,7,4'-Tetrahydroxyflavanone 7-glucoside (CHEBI:179853) is a glycoside (CHEBI:24400)
IUPAC Name 
2,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-chromen-4-one
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LMPK12140689LIPID MAPS
24846642ChemSpider