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_2043 synonyms



Graphical representations:

lignin_cw_compound_2043 image

Molecular Formula: C22 H24 O8

Natural Isotopic Abundance Mass: 416.42116

Mono-Isotopic Molecular Masses:

  • C12N14: 416.1471177472
  • C13N14: 438.2209241788
  • C12N15: 416.1471177472
  • C13N15: 438.2209241788

InCHi String:

Canonical and Isomeric SMILES: CCOC(C(C(C1=CC(=C(C=C1)O)OC)O)OC2=C(C=C(C=CC=O)C=C2)OC)=O

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 2043
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.