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Substance Name: 3-Galloylshikimic acid
RN: 110082-91-2
UNII: 0Q46TTD0BA
InChIKey: CFCRCJAHPCJZLP-FOGDFJRCSA-N

Molecular Formula

  • C14-H14-O9

Molecular Weight

  • 326.2556
 
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Names and Synonyms

Name of Substance

  • 3-Galloylshikimic acid

Synonyms

  • 3-Galloylshikimic acid
  • 3-o-Galloylshikimic acid
  • Benzoic acid, 3,4,5-trihydroxy-, (1R,5R,6S)-3-carboxy-5,6-dihydroxy-2-cyclohexen-1-yl ester
  • UNII-0Q46TTD0BA

Registry Numbers

CAS Registry Number

  • 110082-91-2

FDA UNII

  • 0Q46TTD0BA

System Generated Number

  • 0110082912

Structure Descriptors

InChI

1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h2-4,9-10,12,15-19H,1H2,(H,20,21)/t9-,10-,12+/m1/s1

InChIKey

CFCRCJAHPCJZLP-FOGDFJRCSA-N

Smiles

O[C@@H]1CC(=C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)C(=O)O