BMRB

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_2004

Graphical representations:

lignin_cw_compound_2004 image

Molecular Formula: C20 H22 O6

Natural Isotopic Abundance Mass: 358.38508

Mono-Isotopic Molecular Masses:

  • C12N14: 358.1416384388
  • C13N14: 378.2087351948
  • C12N15: 358.1416384388
  • C13N15: 378.2087351948

InCHi String: InChI=1/C20H22O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-6,8-10,15,19,21-23H,7,11H2,1-2H3/b4-3+

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)C3C(CO)C2=C(C(=CC(=C2)C=CCO)OC)O3)O

Beilstein
4-[3-Hydroxymethyl-5-(3-hydroxypropenyl)-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxyphenol

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 2004
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.