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Substance Name: 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride
RN: 77974-80-2
InChIKey: OCGGMAFTSRCSJO-XKGOWWBVSA-N

Molecular Formula

  • C20-H19-O9.Cl

Molecular Weight

  • 438.814
 
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Names and Synonyms

  • 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-xylopyranosyloxy)-, chloride

Registry Numbers

CAS Registry Number

  • 77974-80-2

System Generated Number

  • 0077974802

Molecular Formulas

Molecular Formula

  • C20-H19-O9.Cl

Molecular Formula Fragments

  • C20-H19-O9
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C20H18O9.ClH/c21-10-3-1-9(2-4-10)19-16(29-20-18(26)17(25)14(24)8-27-20)7-12-13(23)5-11(22)6-15(12)28-19;/h1-7,14,17-18,20,24-26H,8H2,(H2-,21,22,23);1H/t14-,17+,18-,20+;/m1./s1

InChIKey

OCGGMAFTSRCSJO-XKGOWWBVSA-N

Smiles

[o+]1c(c(cc2c1cc(cc2O)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)CO1)c1ccc(cc1)O.[ClH-]