BMRB

Biological Magnetic Resonance Data Bank


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

Rotenone

Rotenone synonyms

Rotenone

Wikipedia:

Graphical representations:

Rotenone image

View large 3D structure

Molecular Formula: C23H22O6

Natural Isotopic Abundance Mass: 394.41718

Mono-Isotopic Molecular Masses:

  • C12N14: 394.141638424
  • C13N14: 417.218799698
  • C12N15: 394.141638424
  • C13N15: 417.218799698

InChI String: InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   6758
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