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Brunnein a

  • Formula: C13H12N2O3

  • Molecular weight: 244.25

  • Smiles: CC1=NC(CC2=C1NC3=C2C=CC(=C3)O)C(=O)O

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Brunnein a

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Brunnein a

  • First synonym: Brunnein a

  • Synonyms: BRUNNEIN A,CHEMBL399231

Identifiers / External links

Structure

  • Smiles: CC1=NC(CC2=C1NC3=C2C=CC(=C3)O)C(=O)O

  • Isomeric smiles: CC1=N[C@@H](CC2=C1NC3=C2C=CC(=C3)O)C(=O)O

  • Inchi: InChI=1S/C13H12N2O3/c1-6-12-9(5-11(14-6)13(17)18)8-3-2-7(16)4-10(8)15-12/h2-4,11,15-16H,5H2,1H3,(H,17,18)/t11-/m0/s1

  • Inchikey: KSNGZQWONODVBX-NSHDSACASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C13H12N2O3

  • Molecular weight: 244.25

  • Monoisotopic mass: 244.08479225

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