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_2037 synonyms



Graphical representations:

lignin_cw_compound_2037 image

Molecular Formula: C20 H22 O7

Natural Isotopic Abundance Mass: 374.38448

Mono-Isotopic Molecular Masses:

  • C12N14: 374.1365530609
  • C13N14: 394.2036498169
  • C12N15: 374.1365530609
  • C13N15: 394.2036498169

InCHi String: InChI=1/C20H22O7/c1-5-25-13(2)26-20-18(24-4)9-15(12-22)10-19(20)27-16-7-6-14(11-21)8-17(16)23-3/h6-13H,5H2,1-4H3

Canonical and Isomeric SMILES: CCOC(C)OC1=C(C=C(C=C1OC2=C(C=C(C=C2)C=O)OC)C=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 2037
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.