Lignin_cw_compound_2055

Lignin_cw_compound_2055 bmse010485 - Data

Lignin_cw_compound_2055 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2055

View large 3D structure

Molecular Formula: C14H16O5

Natural Isotopic Abundance Mass: 264.27384

Mono-Isotopic Molecular Masses:

  • C12N14: 264.0997736241
  • C13N14: 278.1467413533
  • C12N15: 264.0997736241
  • C13N15: 278.1467413533

InChI string: InChI=1S/C14H16O5/c1-3-18-14(16)10-19-12-7-6-11(5-4-8-15)9-13(12)17-2/h4-9H,3,10H2,1-2H3/b5-4+

USDA_NMR_database: 2055

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)