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_3042 synonyms



Graphical representations:


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Molecular Formula: C26H26O12

Natural Isotopic Abundance Mass: 530.47744

Mono-Isotopic Molecular Masses:

  • C12N14: 530.1424262998
  • C13N14: 556.2296520826
  • C12N15: 530.1424262998
  • C13N15: 556.2296520826

InChI string: InChI=1S/C26H26O12/c1-11(27)35-23-15(31-3)7-13(8-16(23)32-4)21-19-20(26(30)37-21)22(38-25(19)29)14-9-17(33-5)24(36-12(2)28)18(10-14)34-6/h7-10,19-22H,1-6H3/t19-,20-,21-,22+/m0/s1

USDA_NMR_database: 3042

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,