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Epurpurin b

  • Formula: C23H20N2O2

  • Molecular weight: 356.40

  • Smiles: CC(=CCC1=C(C=CC(=C1)C=C(C#N)C(=CC2=CC=C(C=C2)O)C#N)O)C

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Epurpurin b

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

Names

  • Mycotoxin name: Epurpurin b

  • First synonym: Epurpurin b

  • Synonyms: Epurpurin B

Identifiers / External links

Structure

  • Smiles: CC(=CCC1=C(C=CC(=C1)C=C(C#N)C(=CC2=CC=C(C=C2)O)C#N)O)C

  • Isomeric smiles: CC(=CCC1=C(C=CC(=C1)/C=C(\C#N)/C(=C/C2=CC=C(C=C2)O)/C#N)O)C

  • Inchi: InChI=1S/C23H20N2O2/c1-16(2)3-7-19-12-18(6-10-23(19)27)13-21(15-25)20(14-24)11-17-4-8-22(26)9-5-17/h3-6,8-13,26-27H,7H2,1-2H3/b20-11+,21-13+

  • Inchikey: MEHGRNDEWRTQNA-VZLKJUJQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H20N2O2

  • Molecular weight: 356.40

  • Monoisotopic mass: 356.152477885

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