Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


H-b-S synonyms



Graphical representations:

H-b-S image

Molecular Formula: C27 H32 O11

Natural Isotopic Abundance Mass: 532.53638

Mono-Isotopic Molecular Masses:

  • C12N14: 532.1944618703
  • C13N14: 559.2850424909
  • C12N15: 532.1944618703
  • C13N15: 559.2850424909

InCHi String:

Canonical and Isomeric SMILES: CC(C1=CC(=C(C(=C1)OC)OC(COC(C)=O)C(C2=CC=C(C=C2)OC(C)=O)OC(C)=O)OC)OC(C)=O

Lignin abbreviation

PubChem Substance (SID):   111678020
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 225
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.