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_2082 synonyms



Graphical representations:

lignin_cw_compound_2082 image

Molecular Formula: C21 H24 O9

Natural Isotopic Abundance Mass: 420.40986

Mono-Isotopic Molecular Masses:

  • C12N14: 420.1420323693
  • C13N14: 441.2124839631
  • C12N15: 420.1420323693
  • C13N15: 441.2124839631

InCHi String:

Canonical and Isomeric SMILES: CC(=O)OC1=C(C=C(C=C1OC)C(C(CO)OC2=C(C=CC=C2OC)OC)=O)OC

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 2082
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.