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Substance Name: Mirtillin
RN: 6906-38-3
UNII: 474A9U89JS
InChIKey: ZJWIIMLSNZOCBP-BTTVDUMLSA-N

Note

  • Potent antioxidant from blueberries.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-O12.Cl

Molecular Weight

  • 500.838
 
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Names and Synonyms

Results Name

  • Mirtillin

Name of Substance

  • Myrtillin

Synonyms

  • Delphinidin 3-glucoside
  • Delphinidin 3-monoglucoside
  • Delphinidin 3-O-glucoside
  • Delphinidin-3-glucoside chloride
  • Delphinidine 3-monoglucoside
  • Delphinidol 3-glucoside
  • Mirtillin
  • Myrtillin (6CI)
  • UNII-474A9U89JS

Systematic Names

  • 1-Benzopyrylium, 5,7-dihydroxy-3-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-, chloride
  • Flavylium, 3-(beta-D-glucopyranosyloxy)-3',4',5,5',7-pentahydroxy-, chloride (8CI)

Registry Numbers

CAS Registry Number

  • 6906-38-3

FDA UNII

  • 474A9U89JS

System Generated Number

  • 0006906383

Molecular Formulas

Molecular Formula

  • C21-H21-O12.Cl

Molecular Formula Fragments

  • C21-H21-O12
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H20O12.ClH/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7;/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27);1H/t15-,17-,18+,19-,21-;/m1./s1

InChIKey

ZJWIIMLSNZOCBP-BTTVDUMLSA-N

Smiles

[o+]1c(c(cc2c1cc(cc2O)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)c1cc(c(c(c1)O)O)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1850mg/kg (1850mg/kg)   United States Patent Document. Vol. #4229439,