Biological Magnetic Resonance Data Bank

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


Graphical representations:


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Molecular Formula: C20H18O7

Natural Isotopic Abundance Mass: 370.35272

Mono-Isotopic Molecular Masses:

  • C12N14: 370.1052529325
  • C13N14: 390.1723496885
  • C12N15: 370.1052529325
  • C13N15: 390.1723496885

InChI string: InChI=1/C20H18O7/c1-24-13-5-8(3-4-11(13)21)17-16-15-18(26-17)9-6-12(22)14(25-2)7-10(9)19(15)27-20(16)23/h3-7,15-19,21-22H,1-2H3/t15-,16+,17-,18-,19+/m0/s1

USDA_NMR_database: 2026

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,