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_2038 image

Molecular Formula: C16 H14 O6

Natural Isotopic Abundance Mass: 302.27876

Mono-Isotopic Molecular Masses:

  • C12N14: 302.079038182
  • C13N14: 318.1327155868
  • C12N15: 302.079038182
  • C13N15: 318.1327155868

InCHi String: InChI=1/C16H14O6/c1-20-13-5-10(8-17)3-4-12(13)22-15-7-11(9-18)6-14(21-2)16(15)19/h3-9,19H,1-2H3

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)C=O)OC2=CC(=CC(=C2O)OC)C=O

4-0-5-coupled dehydrodivanillin

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 2038
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.