Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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P-Gluco Cinnamyl Alcohol

Graphical representations:

p-Gluco cinnamyl alcohol image

View large 3D structure

Molecular Formula: C15 H20 O7

Natural Isotopic Abundance Mass: 312.3151

Mono-Isotopic Molecular Masses:

  • C12N14: 312.1209029967
  • C13N14: 327.1712255637
  • C12N15: 312.1209029967
  • C13N15: 327.1712255637

InChI String: InChI=1S/C15H20O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h1-6,11-20H,7-8H2/b2-1+/t11-,12-,13+,14-,15-/m1/s1

Canonical and Isomeric SMILES: SMILES_STRING

p-Gluco cinnamyl alcohol

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 157
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,