Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Lignin_cw_compound_294 synonyms



Graphical representations:


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Molecular Formula: C15H20O6

Natural Isotopic Abundance Mass: 296.3157

Mono-Isotopic Molecular Masses:

  • C12N14: 296.1259883746
  • C13N14: 311.1763109416
  • C12N15: 296.1259883746
  • C13N15: 311.1763109416

InChI string: InChI=1S/C15H20O6/c1-6-12(20-9(2)16)11-7-13(18-4)15(21-10(3)17)14(8-11)19-5/h7-8,12H,6H2,1-5H3/t12-/m0/s1

USDA_NMR_database: 294

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,