Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Lignin_cw_compound_3040 synonyms



Graphical representations:


View large 3D structure

Molecular Formula: C19H20O7

Natural Isotopic Abundance Mass: 360.3579

Mono-Isotopic Molecular Masses:

  • C12N14: 360.1209029967
  • C13N14: 379.1846449149
  • C12N15: 360.1209029967
  • C13N15: 379.1846449149

InChI string: InChI=1/C19H20O7/c1-22-14-6-5-7-15(23-2)19(14)26-13(11-20)8-12-9-16(24-3)18(21)17(10-12)25-4/h5-11,21H,1-4H3/b13-8-

USDA_NMR_database: 3040

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,