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_240 synonyms



Graphical representations:


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Molecular Formula: C18H22O9

Natural Isotopic Abundance Mass: 382.36188

Mono-Isotopic Molecular Masses:

  • C12N14: 382.1263823051
  • C13N14: 400.1867693855
  • C12N15: 382.1263823051
  • C13N15: 400.1867693855

InChI string: InChI=1S/C18H22O9/c1-10(19)24-9-17(26-12(3)21)18(27-13(4)22)14-6-7-15(25-11(2)20)16(8-14)23-5/h6-8,17-18H,9H2,1-5H3/t17-,18+/m1/s1

USDA_NMR_database: 240

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,