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Substance Name: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, O-(3-sulphopropyl) derivative, sodium salt
RN: 29595-59-3
InChIKey: YEXVICIQGSJKTB-MWBJKMPYSA-M

Molecular Formula

  • C30-H36-O18-S.x-Na

Molecular Weight

  • 754.6435
 
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Names and Synonyms

Synonym

  • EINECS 249-715-1

Systematic Name

  • 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, O-(3-sulphopropyl) derivative, sodium salt

Registry Numbers

CAS Registry Number

  • 29595-59-3

System Generated Number

  • 0029595593

Molecular Formulas

Molecular Formula

  • C30-H36-O18-S.x-Na

Molecular Formula Fragments

  • C30-H36-O18-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H36O19S.Na/c1-11-20(34)23(37)25(39)29(46-11)45-10-18-21(35)24(38)26(40)30(48-18)49-28-22(36)19-16(33)8-13(44-5-2-6-50(41,42)43)9-17(19)47-27(28)12-3-4-14(31)15(32)7-12;/h3-4,7-9,11,18,20-21,23-26,29-35,37-40H,2,5-6,10H2,1H3,(H,41,42,43);/q;+1/p-1/t11-,18+,20-,21+,23+,24-,25+,26+,29+,30-;/m0./s1

InChIKey

YEXVICIQGSJKTB-MWBJKMPYSA-M

Smiles

[Na+].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(OCCCS(=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