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_22 synonyms



Graphical representations:


View large 3D structure

Molecular Formula: C18H20O7

Natural Isotopic Abundance Mass: 348.3472

Mono-Isotopic Molecular Masses:

  • C12N14: 348.1209029967
  • C13N14: 366.1812900771
  • C12N15: 348.1209029967
  • C13N15: 366.1812900771

InChI string: InChI=1S/C18H20O7/c1-21-13-6-5-7-14(22-2)18(13)25-10-12(19)11-8-15(23-3)17(20)16(9-11)24-4/h5-9,20H,10H2,1-4H3

USDA_NMR_database: 22

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,