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Roquefortine f

  • Formula: C23H25N5O3

  • Molecular weight: 419.50

  • Smiles: CC(C)(C=C)C12CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3C1N(C5=CC=CC=C25)OC

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Roquefortine f

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

Names

  • Mycotoxin name: Roquefortine f

  • First synonym: Roquefortine f

  • Synonyms: roquefortine F

Identifiers / External links

Structure

  • Smiles: CC(C)(C=C)C12CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3C1N(C5=CC=CC=C25)OC

  • Isomeric smiles: CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3[C@@H]1N(C5=CC=CC=C25)OC

  • Inchi: InChI=1S/C23H25N5O3/c1-5-22(2,3)23-11-18-19(29)26-16(10-14-12-24-13-25-14)20(30)27(18)21(23)28(31-4)17-9-7-6-8-15(17)23/h5-10,12-13,18,21H,1,11H2,2-4H3,(H,24,25)(H,26,29)/b16-10+/t18-,21+,23+/m0/s1

  • Inchikey: UGXLTDJSORIITQ-QTJDKHMESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H25N5O3

  • Molecular weight: 419.50

  • Monoisotopic mass: 419.19573968

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