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_2015

Graphical representations:

lignin_cw_compound_2015 image

Molecular Formula: C30 H34 O9

Natural Isotopic Abundance Mass: 538.58556

Mono-Isotopic Molecular Masses:

  • C12N14: 538.2202826903
  • C13N14: 568.3209278243
  • C12N15: 538.2202826903
  • C13N15: 568.3209278243

InCHi String:

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)[C@H]([C@H](CO)OC2=C(C=C(C=CCO)C=C2)OC)OC3=C(C=C(C=CCO)C=C3)OC)O

Beilstein
Guaiacylglycerol-A,B-bis-coniferyl ether

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 2015
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.