BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Veratryl Glycerol

Veratryl Glycerol synonyms

Veratryl glycerol; 1-(3,4-dimethoxyphenyl)glycerol

Wikipedia:

Graphical representations:

Veratryl glycerol image

View large 3D structure

Molecular Formula: C11 H16 O5

Natural Isotopic Abundance Mass: 228.24174

Mono-Isotopic Molecular Masses:

  • C12N14: 228.0997736241
  • C13N14: 239.1366768399
  • C12N15: 228.0997736241
  • C13N15: 239.1366768399

InChI String: InChI=1/C11H16O5/c1-15-9-4-3-7(5-10(9)16-2)11(14)8(13)6-12/h3-5,8,11-14H,6H2,1-2H3

Canonical and Isomeric SMILES: SMILES_STRING

Beilstein
Veratryl glycerol

PubChem Substance (SID):   111677974
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 160
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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, https://www.nature.com/articles/sdata201773