BMRB

Biological Magnetic Resonance Data Bank


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

Guaiacyl_chalcone

Guaiacyl_chalcone synonyms

guaiacyl chalcone

Wikipedia:

Graphical representations:

guaiacyl_chalcone

View large 3D structure

Molecular Formula: C17H18O5

Natural Isotopic Abundance Mass: 302.32182

Mono-Isotopic Molecular Masses:

  • C12N14: 302.1154236883
  • C13N14: 319.1724559309
  • C12N15: 302.1154236883
  • C13N15: 319.1724559309

InChI string: InChI=1S/C17H18O5/c1-21-16-9-11(4-7-14(16)19)3-6-13(18)12-5-8-15(20)17(10-12)22-2/h3-10,13,18-20H,1-2H3/b6-3+

USDA_NMR_database: 301

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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)