Lignin_cw_compound_257

Lignin_cw_compound_257 bmse010170 - Data

Lignin_cw_compound_257 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_257

View large 3D structure

Molecular Formula: C17H16O6

Natural Isotopic Abundance Mass: 316.30534

Mono-Isotopic Molecular Masses:

  • C12N14: 316.0946882462
  • C13N14: 333.1517204888
  • C12N15: 316.0946882462
  • C13N15: 333.1517204888

InChI string: InChI=1S/C17H16O6/c1-21-15-9-13(20)16(10-12(15)19)23-14-6-5-11(4-3-7-18)8-17(14)22-2/h3-6,8-10,18H,7H2,1-2H3/b4-3+

USDA_NMR_database: 257

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)