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:

Erone image

Molecular Formula: C17 H18 O6

Natural Isotopic Abundance Mass: 318.32122

Mono-Isotopic Molecular Masses:

  • C12N14: 318.1103383104
  • C13N14: 335.167370553
  • C12N15: 318.1103383104
  • C13N15: 335.167370553

InCHi String:

Canonical and Isomeric SMILES: COC1=CC=CC=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)=O


PubChem Substance (SID):   111677940
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 106
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.