Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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G-b-S-r-S synonyms



Graphical representations:

G-b-S-r-S image

Molecular Formula: C32 H38 O12

Natural Isotopic Abundance Mass: 614.63692

Mono-Isotopic Molecular Masses:

  • C12N14: 614.236326685
  • C13N14: 646.3436814946
  • C12N15: 614.236326685
  • C13N15: 646.3436814946

InCHi String:

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=C2OC)C5C4COC(C3=CC(=C(C(=C3)OC)O)OC)C4CO5)OC)O)O

Lignin abbreviation

PubChem Substance (SID):   111677992
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 183
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.