Lignin_cw_compound_2047

Lignin_cw_compound_2047 bmse010480 - Data

Lignin_cw_compound_2047 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2047

View large 3D structure

Molecular Formula: C16H20O6

Natural Isotopic Abundance Mass: 308.3264

Mono-Isotopic Molecular Masses:

  • C12N14: 308.1259883746
  • C13N14: 324.1796657794
  • C12N15: 308.1259883746
  • C13N15: 324.1796657794

InChI string: InChI=1/C16H20O6/c1-3-19-15(17)11-22-13-6-4-12(10-14(13)18-2)5-7-16-20-8-9-21-16/h4-7,10,16H,3,8-9,11H2,1-2H3/b7-5+

USDA_NMR_database: 2047

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)