roquefortine

  • Formula: C22H23N5O2

  • Molecular weight: 389.40

  • Smiles: CC(C)(C=C)C12CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3C1NC5=CC=CC=C25

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roquefortine

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Structural Information
Physico-chemical Properties
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Names

  • Mycotoxin name: roquefortine

  • First synonym: None

  • Synonyms: Roquefortine,Roquefortine C,NSC292134,58735-64-1,NSC 292134,CHEBI:178181,2H-Pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-(3H,5ah)-dione, 6,10b,11,11a-tetrahydro-10b-(1,1-dimethyl-2-propenyl)-3-(1H-imidazol-4-ylmethylene)-,HB4059,Q7366803,(Z)-1,1-dimethylallyl(1H-imidazol-4-ylmethylene)[?]dione,(4Z)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione,10b-(1,1-Dimethyl-2-propenyl)-1-hydroxy-3-(1H-imidazol-5-ylmethylene)-3,5a,6,10b,11,11a-hexahydro-4H-pyrazino[2',1':5,1]pyrrolo[2,3-b]indol-4-one #,2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-4-ylmethylene)-, (3Z)-,2H-Pyrazino[1',5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-4-ylmethylene)- (VA

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Structure

  • Smiles: CC(C)(C=C)C12CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3C1NC5=CC=CC=C25

  • Isomeric smiles: CC(C)(C=C)C12CC3C(=O)N/C(=C\C4=CN=CN4)/C(=O)N3C1NC5=CC=CC=C25

  • Inchi: InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9-

  • Inchikey: SPWSUFUPTSJWNG-SXGWCWSVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H23N5O2

  • Molecular weight: 389.40

  • Monoisotopic mass: 389.18517499

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