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_1015 image

Molecular Formula: C26 H26 O8

Natural Isotopic Abundance Mass: 466.47984

Mono-Isotopic Molecular Masses:

  • C12N14: 466.1627678114
  • C13N14: 492.2499935942
  • C12N15: 466.1627678114
  • C13N15: 492.2499935942

InCHi String:

Canonical and Isomeric SMILES: COC1=CC=CC=C1OC(COC(C=CC2=CC=C(C=C2)O)=O)C(C3=CC(=C(C=C3)O)OC)O

To be defined

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 1015
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.