4-(β-D-Glucopyranosyloxy)-3,5-dihydroxybenzoic acid

CAS Registry Number®

84274-52-2
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CAS Name

4-(β-D-Glucopyranosyloxy)-3,5-dihydroxybenzoic acid

Molecular Formula

C13H16O10

Molecular Mass

332.26

Cite this Page

4-(β-D-Glucopyranosyloxy)-3,5-dihydroxybenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=84274-52-2 (retrieved 2024-09-19) (CAS RN: 84274-52-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16O10/c14-3-7-8(17)9(18)10(19)13(22-7)23-11-5(15)1-4(12(20)21)2-6(11)16/h1-2,7-10,13-19H,3H2,(H,20,21)/t7-,8-,9+,10-,13+/m1/s1

InChIKey

InChIKey=YPSNWSNUXIIKHO-YANYRWCTSA-N

SMILES

O([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=C(O)C=C(C(O)=O)C=C2O

Canonical SMILES

O=C(O)C1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(O)=C1

Other Names for this Substance

  • Benzoic acid, 4-(β-D-glucopyranosyloxy)-3,5-dihydroxy-
  • 4-(β-D-Glucopyranosyloxy)-3,5-dihydroxybenzoic acid

Deleted or Replaced CAS Registry Numbers

1226513-62-7