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_3061 synonyms



Graphical representations:


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Molecular Formula: C18H18O6

Natural Isotopic Abundance Mass: 330.33192

Mono-Isotopic Molecular Masses:

  • C12N14: 330.1103383104
  • C13N14: 348.1707253908
  • C12N15: 330.1103383104
  • C13N15: 348.1707253908

InChI string: InChI=1S/C18H18O6/c1-22-15-7-11(3-4-14(15)21)17-13(9-20)12-5-10(8-19)6-16(23-2)18(12)24-17/h3-8,13,17,20-21H,9H2,1-2H3/t13-,17+/m0/s1

USDA_NMR_database: 3061

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,