Biological Magnetic Resonance Data Bank

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

Aspergillic Acid synonyms


Graphical representations:


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Molecular Formula: C12H20N2O2

Natural Isotopic Abundance Mass: 224.2994

Mono-Isotopic Molecular Masses:

  • C12N14: 224.15247789
  • C13N14: 236.192735946
  • C12N15: 226.146547676
  • C13N15: 238.186805732

InChI string: InChI=1S/C12H20N2O2/c1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16/h7-9,16H,5-6H2,1-4H3/t9-/m1/s1

PubChem Compound (CID): 10272

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,