Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Methoxsalen synonyms


Graphical representations:


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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

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,