Biological Magnetic Resonance Data Bank

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


Graphical representations:

lignin_cw_compound_2 image

Molecular Formula: C21 H28 O8

Natural Isotopic Abundance Mass: 408.44222

Mono-Isotopic Molecular Masses:

  • C12N14: 408.1784178756
  • C13N14: 429.2488694694
  • C12N15: 408.1784178756
  • C13N15: 429.2488694694

InCHi String:

Canonical and Isomeric SMILES: CC(C1=CC(=C(C(=C1)OC)OC(CO)C(C2=CC(=C(C=C2)OC)OC)O)OC)O


PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 2
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.