BMRB

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_296

Lignin_cw_compound_296 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_296

View large 3D structure

Molecular Formula: C14H20O5

Natural Isotopic Abundance Mass: 268.3056

Mono-Isotopic Molecular Masses:

  • C12N14: 268.1310737525
  • C13N14: 282.1780414817
  • C12N15: 268.1310737525
  • C13N15: 282.1780414817

InChI string: InChI=1S/C14H20O5/c1-6-11(19-9(2)15)10-7-12(16-3)14(18-5)13(8-10)17-4/h7-8,11H,6H2,1-5H3/t11-/m1/s1

USDA_NMR_database: 296

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)