Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


Lignin_cw_compound_262 synonyms



Graphical representations:

lignin_cw_compound_262 image

Molecular Formula: C31 H36 O13

Natural Isotopic Abundance Mass: 616.60974

Mono-Isotopic Molecular Masses:

  • C12N14: 616.2155912429
  • C13N14: 647.3195912147
  • C12N15: 616.2155912429
  • C13N15: 647.3195912147

InCHi String:

Canonical and Isomeric SMILES: CC(=O)OCC2C1=C(C(=CC(=C1)C(C(COC(C)=O)OC(C)=O)OC(C)=O)OC)OC2C3=CC(=C(C=C3)OC(C)=O)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 262
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.