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_252 synonyms



Graphical representations:

lignin_cw_compound_252 image

Molecular Formula: C17 H18 O3

Natural Isotopic Abundance Mass: 270.32302

Mono-Isotopic Molecular Masses:

  • C12N14: 270.1255944441
  • C13N14: 287.1826266867
  • C12N15: 270.1255944441
  • C13N15: 287.1826266867

InCHi String: InChI=1/C17H18O3/c1-19-17-12-14(8-5-11-18)9-10-16(17)20-13-15-6-3-2-4-7-15/h2-10,12,18H,11,13H2,1H3/b8-5+

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)C=CCO)OCC2=CC=CC=C2

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 252
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.