Biological Magnetic Resonance Data Bank

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


Scopoletin synonyms


Graphical representations:


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Molecular Formula: C10H8O4

Natural Isotopic Abundance Mass: 192.16812

Mono-Isotopic Molecular Masses:

  • C12N14: 192.042258736
  • C13N14: 202.075807116
  • C12N15: 192.042258736
  • C13N15: 202.075807116

InChI string: InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,12H,1H3

MMCD: cq_01128
PubChem Compound (CID): 5185

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,