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Substance Name: Malvidin 3-galactoside
RN: 30113-37-2
UNII: MB4022065G
InChIKey: YDIKCZBMBPOGFT-PWUSVEHZSA-N

Molecular Formula

  • C23-H25-O12.Cl

Molecular Weight

  • 528.891
 
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Names and Synonyms

Name of Substance

  • Malvidin 3-galactoside

Synonyms

  • EINECS 250-055-1
  • NSC 270760
  • UNII-MB4022065G

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 30113-37-2

FDA UNII

  • MB4022065G

System Generated Number

  • 0030113372

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-PWUSVEHZSA-N

Smiles

O1[C@@H]([C@@H]([C@H](O)[C@H]([C@@H]1Oc1cc2c(cc(cc2[o+]c1c1cc(c(c(c1)OC)O)OC)O)O)O)O)CO.[ClH-]