Lignin_cw_compound_2037

Lignin_cw_compound_2037 bmse010475 - Data

Lignin_cw_compound_2037 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2037

View large 3D structure

Molecular Formula: C20H22O7

Natural Isotopic Abundance Mass: 374.38448

Mono-Isotopic Molecular Masses:

  • C12N14: 374.1365530609
  • C13N14: 394.2036498169
  • C12N15: 374.1365530609
  • C13N15: 394.2036498169

InChI string: InChI=1S/C20H22O7/c1-5-25-13(2)26-20-18(24-4)9-15(12-22)10-19(20)27-16-7-6-14(11-21)8-17(16)23-3/h6-13H,5H2,1-4H3/t13-/m1/s1

USDA_NMR_database: 2037

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)