BMRB

Biological Magnetic Resonance Data Bank


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

P-Gluco Cinnamyl Alcohol

P-Gluco Cinnamyl Alcohol synonyms

4-(3-hydroxy-1-propenyl)phenyl-B-D-glucopyranoside

Wikipedia:

Graphical representations:

p-Gluco

View large 3D structure

Molecular Formula: C15H20O7

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

USDA_NMR_database: 157

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)