BMRB

Biological Magnetic Resonance Data Bank


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

Canadine

Canadine synonyms

Wikipedia:

Graphical representations:

Canadine image

View large 3D structure

Molecular Formula: C20H21NO4

Natural Isotopic Abundance Mass: 339.38504

Mono-Isotopic Molecular Masses:

  • C12N14: 339.147058157
  • C13N14: 359.214154917
  • C12N15: 340.14409305
  • C13N15: 360.21118981

InChI String: InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   21171
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
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