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_3002 synonyms



Graphical representations:

lignin_cw_compound_3002 image

Molecular Formula: C22 H22 O10

Natural Isotopic Abundance Mass: 446.40408

Mono-Isotopic Molecular Masses:

  • C12N14: 446.1212969272
  • C13N14: 468.1951033588
  • C12N15: 446.1212969272
  • C13N15: 468.1951033588

InCHi String:

Canonical and Isomeric SMILES: COC1=C(C(=CC(=C1)C4C3C(C(C2=CC(=C(C(=C2)OC)O)OC)OC3=O)C(=O)O4)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 3002
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.