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Substance Name: 4-O-(3'-o-alpha-D-Glucopyranosyl)-caffeoyl quinic acid
RN: 1401352-63-3
UNII: FA81R6863C
InChIKey: DVSKLQXWNBGVPV-UHFXDIRSSA-N

Molecular Formula

  • C22-H28-O14

Molecular Weight

  • 516.4492
 
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Names and Synonyms

Name of Substance

  • 4-O-(3'-o-alpha-D-Glucopyranosyl)-caffeoyl quinic acid

Synonyms

  • 4-O-(3'-o-alpha-D-Glucopyranosyl)-caffeoyl quinic acid
  • Cyclohexanecarboxylic acid, 4-(((2E)-3-(3-(alpha-D-glucopyranosyloxy)-4-hydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)-
  • UNII-FA81R6863C

Registry Numbers

CAS Registry Number

  • 1401352-63-3

FDA UNII

  • FA81R6863C

System Generated Number

  • 1401352633

Structure Descriptors

InChI

1S/C22H28O14/c23-8-14-16(28)17(29)18(30)20(35-14)34-13-5-9(1-3-10(13)24)2-4-15(27)36-19-11(25)6-22(33,21(31)32)7-12(19)26/h1-5,11-12,14,16-20,23-26,28-30,33H,6-8H2,(H,31,32)/b4-2+/t11-,12-,14-,16-,17+,18-,19-,20+,22+/m1/s1

InChIKey

DVSKLQXWNBGVPV-UHFXDIRSSA-N

Smiles

c1c(cc(c(c1)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C=C/C(=O)O[C@H]3[C@@H](C[C@](C[C@H]3O)(O)C(=O)O)O