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Substance Name: Malvidin-3-glucoside
RN: 7228-78-6
UNII: B34F52D7NB
InChIKey: YDIKCZBMBPOGFT-DIONPBRTSA-N

Molecular Formula

  • C23-H25-O12.Cl

Molecular Weight

  • 528.8915
 
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Names and Synonyms

Name of Substance

  • Malvidin-3-glucoside

Synonyms

  • EINECS 230-631-9
  • Enin
  • Malvidine-3-glucoside
  • NSC 70532
  • Oenin
  • UNII-B34F52D7NB

Systematic Name

  • 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride

Registry Numbers

CAS Registry Number

  • 7228-78-6

FDA UNII

  • B34F52D7NB

System Generated Number

  • 0007228786

Molecular Formulas

Molecular Formula

  • C23-H25-O12.Cl

Molecular Formula Fragments

  • C23-H25-O12
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C23H24O12.ClH/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23;/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27);1H/t17-,19-,20+,21-,23-;/m1./s1

InChIKey

YDIKCZBMBPOGFT-DIONPBRTSA-N

Smiles

[Cl-].COc1cc(cc(OC)c1O)c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O