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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_3031

Lignin_cw_compound_3031 synonyms

beta-[4-(2-formylvinyl)-2-methoxyphenoxy] coniferyl aldehyde

Wikipedia:

Graphical representations:

lignin_cw_compound_3031 image

Molecular Formula: C20 H18 O6

Natural Isotopic Abundance Mass: 354.35332

Mono-Isotopic Molecular Masses:

  • C12N14: 354.1103383104
  • C13N14: 374.1774350664
  • C12N15: 354.1103383104
  • C13N15: 374.1774350664

InCHi String: InChI=1/C20H18O6/c1-24-19-12-15(5-7-17(19)23)10-16(13-22)26-18-8-6-14(4-3-9-21)11-20(18)25-2/h3-13,23H,1-2H3/b4-3+,16-10-

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)C=C(C=O)OC2=C(C=C(C=CC=O)C=C2)OC)O

Beilstein
beta-[4-(2-formylvinyl)-2-methoxyphenoxy] coniferyl aldehyde

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 3031
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.