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Substance Name: 5-Galloylshikimic acid
RN: 95719-51-0
UNII: 9XEH2JM56J
InChIKey: NTNQTAISNHFKRA-CKYFFXLPSA-N

Molecular Formula

  • C14-H14-O9

Molecular Weight

  • 326.2556
 
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Names and Synonyms

Name of Substance

  • 5-Galloylshikimic acid

Synonyms

  • 5-Galloylshikimic acid
  • Benzoic acid, 3,4,5-trihydroxy-, (1R,5R,6R)-3-carboxy-5,6-dihydroxy-3-cyclohexen-1-yl ester
  • UNII-9XEH2JM56J

Registry Numbers

CAS Registry Number

  • 95719-51-0

FDA UNII

  • 9XEH2JM56J

System Generated Number

  • 0095719510

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/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1

InChIKey

NTNQTAISNHFKRA-CKYFFXLPSA-N

Smiles

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