BMRB

Biological Magnetic Resonance Data Bank


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

Myristicin

Graphical representations:

Myristicin image

View large 3D structure

Molecular Formula: C11H12O3

Natural Isotopic Abundance Mass: 192.21118

Mono-Isotopic Molecular Masses:

  • C12N14: 192.078644244
  • C13N14: 203.115547462
  • C12N15: 192.078644244
  • C13N15: 203.115547462

InChI String: InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   4276
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