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_1003 image

Molecular Formula: C27 H28 O9

Natural Isotopic Abundance Mass: 496.50582

Mono-Isotopic Molecular Masses:

  • C12N14: 496.1733324977
  • C13N14: 523.2639131183
  • C12N15: 496.1733324977
  • C13N15: 523.2639131183

InCHi String:

Canonical and Isomeric SMILES: COC1=CC=CC=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)OC(C=CC3=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 1003
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.