Lignin_cw_compound_3034

Lignin_cw_compound_3034 bmse010355 - Data

Lignin_cw_compound_3034 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3034

View large 3D structure

Molecular Formula: C17H16O5

Natural Isotopic Abundance Mass: 300.30594

Mono-Isotopic Molecular Masses:

  • C12N14: 300.0997736241
  • C13N14: 317.1568058667
  • C12N15: 300.0997736241
  • C13N15: 317.1568058667

InChI string: InChI=1S/C17H16O5/c1-20-15-5-3-4-6-16(15)22-13(11-18)9-12-7-8-14(19)17(10-12)21-2/h3-11,19H,1-2H3/b13-9-

USDA_NMR_database: 3034

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)