Lignin_cw_compound_276

Lignin_cw_compound_276 bmse010185 - Data

Lignin_cw_compound_276 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_276

View large 3D structure

Molecular Formula: C21H22O8

Natural Isotopic Abundance Mass: 402.39458

Mono-Isotopic Molecular Masses:

  • C12N14: 402.131467683
  • C13N14: 423.2019192768
  • C12N15: 402.131467683
  • C13N15: 423.2019192768

InChI string: InChI=1S/C21H22O8/c1-6-17(28-11(2)22)13-7-16(21(29-12(3)23)19(8-13)27-5)15-9-14(24)10-18(26-4)20(15)25/h7-10,17H,6H2,1-5H3/t17-/m1/s1

USDA_NMR_database: 276

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)