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Circumdatin f

  • Formula: C17H13N3O2

  • Molecular weight: 291.30

  • Smiles: CC1C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(=O)N1

  • Type: Benzodiazepine alkaloid

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Circumdatin f

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

Names

  • Mycotoxin name: Circumdatin f

  • First synonym: Circumdatin f

  • Synonyms: Circumdatin F,Circumdatin F_130023

Identifiers / External links

Structure

  • Smiles: CC1C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(=O)N1

  • Isomeric smiles: C[C@H]1C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(=O)N1

  • Inchi: InChI=1S/C17H13N3O2/c1-10-15-19-13-8-4-2-6-11(13)17(22)20(15)14-9-5-3-7-12(14)16(21)18-10/h2-10H,1H3,(H,18,21)/t10-/m0/s1

  • Inchikey: QMACPZZZSHLKJM-JTQLQIEISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H13N3O2

  • Molecular weight: 291.30

  • Monoisotopic mass: 291.100776666

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