Biological Magnetic Resonance Data Bank

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


Isovelleral synonyms



Graphical representations:

Isovelleral image

View large 3D structure

Molecular Formula: C15H20O2

Natural Isotopic Abundance Mass: 232.3181

Mono-Isotopic Molecular Masses:

  • C12N14: 232.14632988
  • C13N14: 247.19665245
  • C12N15: 232.14632988
  • C13N15: 247.19665245

InChI String: InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1


PubChem Substance (SID):   n/a
PubChem Compound (CID):   37839
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_19343

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,