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Substance Name: Fragarin
RN: 574-57-2
UNII: 0416TL8388
InChIKey: VBTDDNNBANEIHF-QSLGVYCOSA-N

Molecular Formula

  • C21-H21-O10.H-O

Molecular Weight

  • 450.3938
 
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Names and Synonyms

Name of Substance

  • Fragarin

Synonyms

  • 1-Benzopyrylium, 3-(D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, hydroxide
  • 1-Benzopyrylium, 3-(D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, hydroxide (1:1)
  • Fragarin
  • UNII-0416TL8388

Registry Numbers

CAS Registry Number

  • 574-57-2

FDA UNII

  • 0416TL8388

System Generated Number

  • 0000574572

Structure Descriptors

InChI

1S/C21H20O10.H2O/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9;/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25);1H2/t16-,17+,18+,19-,21-;/m1./s1

InChIKey

VBTDDNNBANEIHF-QSLGVYCOSA-N

Smiles

c1cc(ccc1c2c(cc3c(cc(cc3[o+]2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O.[OH-]