BMRB

Biological Magnetic Resonance Data Bank


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

Ferulic Acid

Ferulic Acid bmse000459 - Data bmse000587 - Data bmse010211 - Data

Ferulic_acid synonyms

4-hydroxy-3-methoxycinnamic acid

Wikipedia:

Graphical representations:

Ferulic_acid

View large 3D structure

Molecular Formula: C10H10O4

Natural Isotopic Abundance Mass: 194.184

Mono-Isotopic Molecular Masses:

  • C12N14: 194.0579088094
  • C13N14: 204.0914571874
  • C12N15: 194.0579088094
  • C13N15: 204.0914571874

InChI string: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

USDA_NMR_database: 48
PDB Compound ID: FER

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)