BMRB

Biological Magnetic Resonance Data Bank


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

Methoxsalen

Methoxsalen bmse001232 - Data

Methoxsalen synonyms

Wikipedia:

Graphical representations:

Methoxsalen

View large 3D structure

Molecular Formula: C12H8O4

Natural Isotopic Abundance Mass: 216.18952

Mono-Isotopic Molecular Masses:

  • C12N14: 216.042258736
  • C13N14: 228.082516792
  • C12N15: 216.042258736
  • C13N15: 228.082516792

InChI string: InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3

IUPAC: 9-methoxyfuro[3,2-g]chromen-7-one

BMRB Ligand Expo: 8MO
PubChem Compound (CID): 4114
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)