BMRB

Biological Magnetic Resonance Data Bank


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

Radicinin

Radicinin synonyms

Wikipedia:

Graphical representations:

Radicinin

View large 3D structure

Molecular Formula: C12H12O5

Natural Isotopic Abundance Mass: 236.22068

Mono-Isotopic Molecular Masses:

  • C12N14: 236.068473484
  • C13N14: 248.10873154
  • C12N15: 236.068473484
  • C13N15: 248.10873154

InChI string: InChI=1S/C12H12O5/c1-3-4-7-5-8-9(12(15)17-7)11(14)10(13)6(2)16-8/h3-6,10,13H,1-2H3/b4-3+/t6-,10-/m0/s1

IUPAC: (2S,3S)-3-hydroxy-2-methyl-7-prop-1-enyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione

PubChem Compound (CID): 5381458
NSC:

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)