BMRB

Biological Magnetic Resonance Data Bank


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

Pyrethrosin

Pyrethrosin bmse001219 - Data

Pyrethrosin synonyms

pyrethrosin

Wikipedia:

Graphical representations:

Pyrethrosin image

View large 3D structure

Molecular Formula: C17H22O5

Natural Isotopic Abundance Mass: 306.35358

Mono-Isotopic Molecular Masses:

  • C12N14: 306.146723804
  • C13N14: 323.20375605
  • C12N15: 306.146723804
  • C13N15: 323.20375605

InChI String: InChI=1S/C17H22O5/c1-9-5-6-14-17(4,22-14)8-13-15(10(2)16(19)21-13)12(7-9)20-11(3)18/h7,12-15H,2,5-6,8H2,1,3-4H3/b9-7-/t12-,13-,14-,15-,17+/m1/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   5860420
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