Lignin_cw_compound_2044

Lignin_cw_compound_2044 bmse010477 - Data

Lignin_cw_compound_2044 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2044

View large 3D structure

Molecular Formula: C22H24O8

Natural Isotopic Abundance Mass: 416.42116

Mono-Isotopic Molecular Masses:

  • C12N14: 416.1471177472
  • C13N14: 438.2209241788
  • C12N15: 416.1471177472
  • C13N15: 438.2209241788

InChI string: InChI=1S/C22H24O8/c1-4-29-22(26)21(20(25)15-8-9-16(24)18(13-15)27-2)30-17-10-7-14(6-5-11-23)12-19(17)28-3/h5-13,20-21,24-25H,4H2,1-3H3/b6-5+/t20-,21+/m0/s1

USDA_NMR_database: 2044

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)