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_2051 image

Molecular Formula: C21 H24 O6

Natural Isotopic Abundance Mass: 372.41166

Mono-Isotopic Molecular Masses:

  • C12N14: 372.157288503
  • C13N14: 393.2277400968
  • C12N15: 372.157288503
  • C13N15: 393.2277400968

InCHi String: InChI=1/C21H24O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h4-7,9-11,16,20,22-23H,8,12H2,1-3H3/b5-4+

Canonical and Isomeric SMILES: COC1=C(C=C(C=C1)C3C(CO)C2=C(C(=CC(=C2)C=CCO)OC)O3)OC


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 2051
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.