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_3056 synonyms



Graphical representations:

lignin_cw_compound_3056 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/c1-5-26-20(22)18(27-15-9-7-6-8-14(15)23-2)12-13-10-16(24-3)19(21)17(11-13)25-4/h6-12,21H,5H2,1-4H3/b18-12-

Canonical and Isomeric SMILES: CCOC(C(=CC1=CC(=C(C(=C1)OC)O)OC)OC2=CC=CC=C2OC)=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 3056
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.