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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Syringyl Alcohol

Syringyl Alcohol synonyms

Syringyl alcohol; 4-hydroxy-3,5-dimethoxybenzyl alcohol

Wikipedia:

Graphical representations:

Syringyl alcohol image

View large 3D structure

Molecular Formula: C9 H12 O4

Natural Isotopic Abundance Mass: 184.18918

Mono-Isotopic Molecular Masses:

  • C12N14: 184.0735588736
  • C13N14: 193.1037524138
  • C12N15: 184.0735588736
  • C13N15: 193.1037524138

InChI String: InChI=1S/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3

Canonical and Isomeric SMILES: COC1=C(C(=CC(=C1)CO)OC)OC

Beilstein
Syringyl alcohol

PubChem Substance (SID):   111677913
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 16
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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