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CHEBI:179854 - Carthamidin 5-glucoside

ChEBI IDCHEBI:179854
ChEBI NameCarthamidin 5-glucoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILESO=C1CC(c2ccc(O)cc2)Oc2cc(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c21
InChIInChI=1S/C21H22O11/c22-7-14-17(27)18(28)19(29)21(31-14)32-20-15-10(24)5-12(8-1-3-9(23)4-2-8)30-13(15)6-11(25)16(20)26/h1-4,6,12,14,17-19,21-23,25-29H,5,7H2/t12?,14-,17-,18-,19-,21+/m1/s1
InChIKeyUBFTZAGDGOMJQE-KNHQCOLFSA-N
ChEBI Ontology
Outgoing Relation(s)
Carthamidin 5-glucoside (CHEBI:179854) is a flavonoids (CHEBI:72544)
Carthamidin 5-glucoside (CHEBI:179854) is a glycoside (CHEBI:24400)
IUPAC Name 
6,7-dihydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846594ChemSpider
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