BMRB

Biological Magnetic Resonance Data Bank


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

Confertifoline

Confertifoline synonyms

Wikipedia:

Graphical representations:

Confertifoline image

View large 3D structure

Molecular Formula: C15H22O2

Natural Isotopic Abundance Mass: 234.33398

Mono-Isotopic Molecular Masses:

  • C12N14: 234.161979944
  • C13N14: 249.212302514
  • C12N15: 234.161979944
  • C13N15: 249.212302514

InChI String: InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h12H,4-9H2,1-3H3/t12-,15-/m1/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   435751
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