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CHEBI:179852 - Isocarthamidin 8-glucoside

ChEBI IDCHEBI:179852
ChEBI NameIsocarthamidin 8-glucoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILESO=C1CC(c2ccc(O)cc2)Oc2c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)cc(O)c21
InChIInChI=1S/C21H22O11/c22-7-14-16(27)17(28)18(29)21(31-14)32-19-12(26)5-10(24)15-11(25)6-13(30-20(15)19)8-1-3-9(23)4-2-8/h1-5,13-14,16-18,21-24,26-29H,6-7H2/t13?,14?,16-,17+,18?,21+/m1/s1
InChIKeyKUBUHOMBTJDYAN-KOSVEFBVSA-N
ChEBI Ontology
Outgoing Relation(s)
Isocarthamidin 8-glucoside (CHEBI:179852) is a flavonoids (CHEBI:72544)
Isocarthamidin 8-glucoside (CHEBI:179852) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846623ChemSpider
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