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Substance Name: 3-O-Digalloylshikimic acid
RN: 95719-52-1
InChIKey: PKRKPJWPNZPNCK-SUYBPPKGSA-N

Molecular Weight

  • 478.3602
 
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Names and Synonyms

  • 3-O-Digalloylshikimic acid

Registry Numbers

CAS Registry Number

  • 95719-52-1

System Generated Number

  • 0095719521

Structure Descriptors

InChI

1S/C21H18O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-4,6,12,14,17,22-28H,5H2,(H,29,30)/t12-,14-,17-/m1/s1

InChIKey

PKRKPJWPNZPNCK-SUYBPPKGSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)Oc2cc(cc(c2O)O)C(=O)O[C@@H]3CC(=C[C@H]([C@H]3O)O)C(=O)O