BMRB

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_2005

Graphical representations:

lignin_cw_compound_2005 image

Molecular Formula: C26 H28 O9

Natural Isotopic Abundance Mass: 484.49512

Mono-Isotopic Molecular Masses:

  • C12N14: 484.1733324977
  • C13N14: 510.2605582805
  • C12N15: 484.1733324977
  • C13N15: 510.2605582805

InCHi String:

Canonical and Isomeric SMILES: CC(=O)OCC=CC1=CC3=C(C(=C1)OC)OC(C2=CC(=C(C=C2)OC(C)=O)OC)C3COC(C)=O

Beilstein
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 2005
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.