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_2021 image

Molecular Formula: C20 H20 O6

Natural Isotopic Abundance Mass: 356.3692

Mono-Isotopic Molecular Masses:

  • C12N14: 356.1259883746
  • C13N14: 376.1930851306
  • C12N15: 356.1259883746
  • C13N15: 376.1930851306

InCHi String:

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

3-[2-(4-Hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxy-2,3-dihydrobenzofuran-5-yl] prop-2-enal

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 2021
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.