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Roquefortine l

  • Formula: C22H21N5O3

  • Molecular weight: 403.40

  • Smiles: CC(C)(C=C)C12CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3C1=[N+](C5=CC=CC=C25)[O-]

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Roquefortine l

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

Names

  • Mycotoxin name: Roquefortine l

  • First synonym: Roquefortine l

  • Synonyms: roquefortine L,DTXSID00894027,C22170

Identifiers / External links

Structure

  • Smiles: CC(C)(C=C)C12CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3C1=[N+](C5=CC=CC=C25)[O-]

  • Isomeric smiles: CC(C)(C=C)C12CC3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3C1=[N+](C5=CC=CC=C25)[O-]

  • Inchi: InChI=1S/C22H21N5O3/c1-4-21(2,3)22-10-17-18(28)25-15(9-13-11-23-12-24-13)19(29)26(17)20(22)27(30)16-8-6-5-7-14(16)22/h4-9,11-12,17H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b15-9+

  • Inchikey: JKXUAFUJOVITSU-OQLLNIDSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H21N5O3

  • Molecular weight: 403.40

  • Monoisotopic mass: 403.16443955

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