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Substance Name: Chrysanthemin cation
RN: 47705-70-4
UNII: Q6NK5V5B5O
InChIKey: RKWHWFONKJEUEF-GQUPQBGVSA-O

Molecular Formula

  • C21-H21-O11

Molecular Weight

  • 449.3859
 
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Names and Synonyms

Name of Substance

  • Chrysanthemin cation

Synonyms

  • (2S,3R,4S,5S,6R)-2-(2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-
  • Chrysanthemin cation
  • Cyanidin 3-beta-glucoside cation
  • Cyanidin 3-glucoside
  • Cyanidin-3-o-beta-D-glucoside
  • Cyanidin-3-O-glucoside
  • Kuromanin
  • UNII-Q6NK5V5B5O

Registry Numbers

CAS Registry Number

  • 47705-70-4

FDA UNII

  • Q6NK5V5B5O

System Generated Number

  • 0047705704

Structure Descriptors

InChI

1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1

InChIKey

RKWHWFONKJEUEF-GQUPQBGVSA-O

Smiles

c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O