Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Lignin_cw_compound_2079 synonyms



Graphical representations:

lignin_cw_compound_2079 image

Molecular Formula: C32 H34 O12

Natural Isotopic Abundance Mass: 610.60516

Mono-Isotopic Molecular Masses:

  • C12N14: 610.2050265566
  • C13N14: 642.3123813662
  • C12N15: 610.2050265566
  • C13N15: 642.3123813662

InCHi String:

Canonical and Isomeric SMILES: CC(=O)OC1=CC=C(C=C1)C=CC(=O)OC[C@H]([C@@H](C2=CC(=C(C(=C2)OC)OC(C)=O)OC)O)OC3=C(C=CC=C3OC)OC

To be defined

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 2079
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.