Biological Magnetic Resonance Data Bank

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

Ellagic Acid synonyms


Graphical representations:


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Molecular Formula: C14H6O8

Natural Isotopic Abundance Mass: 302.19264

Mono-Isotopic Molecular Masses:

  • C12N14: 302.006267152
  • C13N14: 316.053234884
  • C12N15: 302.006267152
  • C13N15: 316.053234884

InChI string: InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H

MMCD: cq_07453
PDB Compound ID: REF
PubChem Compound (CID): 5281855

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,