Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Phenyl Beta-D-glucoside

Graphical representations:


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Molecular Formula: C12H16O6

Natural Isotopic Abundance Mass: 256.25184

Mono-Isotopic Molecular Masses:

  • C12N14: 256.0946882462
  • C13N14: 268.1349462998
  • C12N15: 256.0946882462
  • C13N15: 268.1349462998

InChI string: InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1

PubChem Compound (CID): 65080
CAS Registry number: 62505-72-0
MMCD: cq_01874
CAS Registry number: 1464-44-4
KEGG Compound ID: C03097
BioCyc: CPD0-1667
NIAID: 186138
ZINC: ZINC04096022

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,