Biological Magnetic Resonance Data Bank

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


Emodin synonyms


Graphical representations:


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Molecular Formula: C15H10O5

Natural Isotopic Abundance Mass: 270.2369

Mono-Isotopic Molecular Masses:

  • C12N14: 270.05282342
  • C13N14: 285.10314599
  • C12N15: 270.05282342
  • C13N15: 285.10314599

InChI string: InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3

IUPAC: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione

BMRB Ligand Expo: EMO
PubChem Compound (CID): 3220

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,