Lignin_cw_compound_3057

Lignin_cw_compound_3057 bmse010514 - Data

Lignin_cw_compound_3057 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3057

View large 3D structure

Molecular Formula: C18H20O6

Natural Isotopic Abundance Mass: 332.3478

Mono-Isotopic Molecular Masses:

  • C12N14: 332.1259883746
  • C13N14: 350.186375455
  • C12N15: 332.1259883746
  • C13N15: 350.186375455

InChI string: InChI=1S/C18H20O6/c1-21-14-6-4-5-7-15(14)24-13(11-19)8-12-9-16(22-2)18(20)17(10-12)23-3/h4-10,19-20H,11H2,1-3H3/b13-8-

USDA_NMR_database: 3057

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)