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:

lignin_cw_compound_2029 image

Molecular Formula: C20 H20 O7

Natural Isotopic Abundance Mass: 372.3686

Mono-Isotopic Molecular Masses:

  • C12N14: 372.1209029967
  • C13N14: 392.1879997527
  • C12N15: 372.1209029967
  • C13N15: 392.1879997527

InCHi String: InChI=1/C20H20O7/c1-24-15-7-10(3-5-13(15)21)18-12-9-26-19(17(12)20(23)27-18)11-4-6-14(22)16(8-11)25-2/h3-8,12,17-19,21-22H,9H2,1-2H3

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)C4C3COC(C2=CC(=C(C=C2)O)OC)C3C(=O)O4)O


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 2029
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.