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Substance Name: Quercimeritrin trihydrate
RN: 14402-68-7
UNII: 1MG401K5XU
InChIKey: VRAAWZWCNJZTAL-FOVQSCRCSA-N

Molecular Formula

  • C21-H20-O12.3H2-O

Molecular Weight

  • 518.4214
 
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Names and Synonyms

Name of Substance

  • Quercimeritrin trihydrate

Synonyms

  • 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-4H-1-benzopyran-4-one trihydrate
  • Quercimeritrin trihydrate
  • Quercimeritrin trihydrate [MI]
  • UNII-1MG401K5XU

Registry Numbers

CAS Registry Number

  • 14402-68-7

FDA UNII

  • 1MG401K5XU

System Generated Number

  • 0014402687

Structure Descriptors

InChI

1S/C21H20O12.3H2O/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7;;;/h1-5,13,15,17,19,21-26,28-30H,6H2;3*1H2/t13-,15-,17+,19-,21-;;;/m1.../s1

InChIKey

VRAAWZWCNJZTAL-FOVQSCRCSA-N

Smiles

O.O.O.OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C(=C(Oc3c2)c4ccc(O)c(O)c4)O)[C@H](O)[C@@H](O)[C@@H]1O