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Substance Name: Neoisoliquiritine
RN: 59122-93-9
UNII: 3TQG647UAN
InChIKey: XQWFHGOIUZFQPJ-LXGDFETPSA-N

Molecular Formula

  • C21-H22-O9

Molecular Weight

  • 418.3958
 
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Names and Synonyms

Name of Substance

  • Neoisoliquiritine

Synonyms

  • 2-Propen-1-one, 1-(4-(beta-D-glucopyranosyloxy)-2-hydroxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-
  • Isoneoliquiritin
  • Neoisoliquiritigenin
  • Neoisoliquiritine
  • UNII-3TQG647UAN

Registry Numbers

CAS Registry Number

  • 59122-93-9

FDA UNII

  • 3TQG647UAN

System Generated Number

  • 0059122939

Structure Descriptors

InChI

1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1

InChIKey

XQWFHGOIUZFQPJ-LXGDFETPSA-N

Smiles

c1cc(ccc1/C=C/C(=O)c2ccc(cc2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O