Lignin_cw_compound_3038

Lignin_cw_compound_3038 bmse010507 - Data

Lignin_cw_compound_3038 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3038

View large 3D structure

Molecular Formula: CHO

Natural Isotopic Abundance Mass: 15.9994

Mono-Isotopic Molecular Masses:

  • C12N14: 15.9949146221
  • C13N14: 15.9949146221
  • C12N15: 15.9949146221
  • C13N15: 15.9949146221

InChI string: InChI=1S/C18H18O6/c1-21-15-5-4-6-16(22-2)18(15)24-13(11-19)9-12-7-8-14(20)17(10-12)23-3/h4-11,20H,1-3H3/b13-9+

USDA_NMR_database: 3038

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)