Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


Lignin_cw_compound_3058 synonyms



Graphical representations:


View large 3D structure

Molecular Formula: C30H26O9

Natural Isotopic Abundance Mass: 530.52204

Mono-Isotopic Molecular Masses:

  • C12N14: 530.1576824335
  • C13N14: 560.2583275675
  • C12N15: 530.1576824335
  • C13N15: 560.2583275675

InChI string: InChI=1/C30H26O9/c1-35-28-16-21(6-9-25(28)34)13-23(18-32)39-27-11-8-22(17-30(27)37-3)14-24(19-33)38-26-10-7-20(5-4-12-31)15-29(26)36-2/h4-19,34H,1-3H3/b5-4+,23-13-,24-14-

USDA_NMR_database: 3058

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,