BMRB

Biological Magnetic Resonance Data Bank


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

Formononetin

Formononetin synonyms

formononetin; formononetin, 4-(14)C-labeled

Wikipedia:

Graphical representations:

Formononetin image

View large 3D structure

Molecular Formula: C16H12O4

Natural Isotopic Abundance Mass: 268.26408

Mono-Isotopic Molecular Masses:

  • C12N14: 268.073558864
  • C13N14: 284.127236272
  • C12N15: 268.073558864
  • C13N15: 284.127236272

InChI String: InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   5280378
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