BMRB

Biological Magnetic Resonance Data Bank


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

1-(3,4-dimethoxyphenyl)-2,3-dihydroxypropan-1-one

1-(3,4-dimethoxyphenyl)-2,3-dihydroxypropan-1-one bmse010092 - Data

Lignin_cw_compound_161 synonyms

Wikipedia:

Graphical representations:

lignin_cw_compound_161

View large 3D structure

Molecular Formula: C11H14O5

Natural Isotopic Abundance Mass: 226.22586

Mono-Isotopic Molecular Masses:

  • C12N14: 226.0841235599
  • C13N14: 237.1210267757
  • C12N15: 226.0841235599
  • C13N15: 237.1210267757

InChI string: InChI=1S/C11H14O5/c1-15-9-4-3-7(5-10(9)16-2)11(14)8(13)6-12/h3-5,8,12-13H,6H2,1-2H3/t8-/m0/s1

USDA_NMR_database: 161

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)