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Roquefortine m

  • Formula: C22H23N5O4

  • Molecular weight: 421.40

  • Smiles: CC(C)(C=C)C1(C2=CC=CC=C2N(C1=O)O)CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3

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Roquefortine m

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

  • Mycotoxin name: Roquefortine m

  • First synonym: Roquefortine m

  • Synonyms: Roquefortine M

Identifiers / External links

Structure

  • Smiles: CC(C)(C=C)C1(C2=CC=CC=C2N(C1=O)O)CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3

  • Isomeric smiles: CC(C)(C=C)C1(C2=CC=CC=C2N(C1=O)O)CC3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3

  • Inchi: InChI=1S/C22H23N5O4/c1-4-21(2,3)22(14-7-5-6-8-17(14)27(31)20(22)30)10-16-19(29)25-15(18(28)26-16)9-13-11-23-12-24-13/h4-9,11-12,16,31H,1,10H2,2-3H3,(H,23,24)(H,25,29)(H,26,28)/b15-9+

  • Inchikey: GIYROBMIPLLHQE-OQLLNIDSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H23N5O4

  • Molecular weight: 421.40

  • Monoisotopic mass: 421.17500423

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