BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

Lignin_cw_compound_262

Lignin_cw_compound_262 bmse010446 - Data

Lignin_cw_compound_262 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_262

View large 3D structure

Molecular Formula: C31H36O13

Natural Isotopic Abundance Mass: 616.60974

Mono-Isotopic Molecular Masses:

  • C12N14: 616.2155912429
  • C13N14: 647.3195912147
  • C12N15: 616.2155912429
  • C13N15: 647.3195912147

InChI string: InChI=1/C30H34O13/c1-15(31)38-13-23-22-10-21(29(42-19(5)35)27(41-18(4)34)14-39-16(2)32)12-26(37-7)30(22)43-28(23)20-8-9-24(40-17(3)33)25(11-20)36-6/h8-12,23,27-29H,13-14H2,1-7H3

USDA_NMR_database: 262

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)