Lignin_cw_compound_255

Lignin_cw_compound_255 bmse010168 - Data

Lignin_cw_compound_255 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_255

View large 3D structure

Molecular Formula: C19H18O6

Natural Isotopic Abundance Mass: 342.34262

Mono-Isotopic Molecular Masses:

  • C12N14: 342.1103383104
  • C13N14: 361.1740802286
  • C12N15: 342.1103383104
  • C13N15: 361.1740802286

InChI string: InChI=1S/C19H18O6/c1-13(20)25-16-8-6-15(7-9-16)19(22)24-11-3-4-14-5-10-17(21)18(12-14)23-2/h3-10,12,21H,11H2,1-2H3/b4-3+

USDA_NMR_database: 255

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)