Lignin_cw_compound_3043

Lignin_cw_compound_3043 bmse010363 - Data

Lignin_cw_compound_3043 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3043

View large 3D structure

Molecular Formula: C18H20O7

Natural Isotopic Abundance Mass: 348.3472

Mono-Isotopic Molecular Masses:

  • C12N14: 348.1209029967
  • C13N14: 366.1812900771
  • C12N15: 348.1209029967
  • C13N15: 366.1812900771

InChI string: InChI=1S/C18H20O7/c1-22-13-7-11(3-4-12(13)21)17-16(9-20)25-18-14(23-2)5-10(8-19)6-15(18)24-17/h3-7,16-17,19-21H,8-9H2,1-2H3/t16-,17-/m0/s1

USDA_NMR_database: 3043

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)