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Substance Name: Rutin sulfate
RN: 108916-86-5
InChIKey: MBAMAVJZWODBKH-ZAAWVBGYSA-M

Molecular Formula

  • C27-H30-O19-S.Na

Molecular Weight

  • 712.5631
 
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Names and Synonyms

Name of Substance

  • Rutin sulfate

Synonyms

  • Rutocide
  • Rutosid
  • Rutoside

Systematic Name

  • 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono(hydrogen sulfate), monosodium salt

Registry Numbers

CAS Registry Number

  • 108916-86-5

System Generated Number

  • 0108916865

Molecular Formulas

Molecular Formula

  • C27-H30-O19-S.Na

Molecular Formula Fragments

  • C27-H30-O19-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H30O19S.Na/c1-8-17(31)20(34)22(36)26(42-8)41-7-15-18(32)21(35)23(37)27(44-15)45-25-19(33)16-13(30)5-10(46-47(38,39)40)6-14(16)43-24(25)9-2-3-11(28)12(29)4-9;/h2-6,8,15,17-18,20-23,26-32,34-37H,7H2,1H3,(H,38,39,40);/q;+1/p-1/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;/m0./s1

InChIKey

MBAMAVJZWODBKH-ZAAWVBGYSA-M

Smiles

[Na+].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(OS(=O)(=O)O)cc([O-])c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O