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

trans-4-Hydroxy-3-methoxycinnamic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid homopolymer; CINNAMIC ACID,4-HYDROXY,3-METHOXY FERULIC ACID; Ferulic acid dehydrogenation homopolymer; Ferulate; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; 3-methoxy-4-hydroxy-trans-cinnamic acid; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-; Cinnamic acid, 4-hydroxy-3-methoxy-; FER

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+

PubChem Compound (CID): 445858
CAS Registry number: 1135-24-6 97274-61-8
Sigma-Aldrich: 46278_FLUKA
ChEBI: CHEBI:17620
CambridgeSoft Corporation: 3550
ChemIDplus: 097274618
ChemSpider: 393368
MMDB: 52625.5
CCRIS: 7575
KEGG Compound ID: C01494
NMRShiftDB: 10009240
NIST Chemistry WebBook: 1973712778
MMCD: cq_00979
MDL: MFCD00004400
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)