BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

lignin_cw_compound_134

Graphical representations:

lignin_cw_compound_134 image

Molecular Formula: C20 H26 O8

Natural Isotopic Abundance Mass: 394.41564

Mono-Isotopic Molecular Masses:

  • C12N14: 394.1627678114
  • C13N14: 414.2298645674
  • C12N15: 394.1627678114
  • C13N15: 414.2298645674

InCHi String: InChI=1/C20H26O8/c1-11(22)13-8-16(26-3)20(17(9-13)27-4)28-18(10-21)19(24)12-5-6-14(23)15(7-12)25-2/h5-9,11,18-19,21-24H,10H2,1-4H3

Canonical and Isomeric SMILES: SMILES_STRING

Beilstein
1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol

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 134
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.