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Neoechinulin e

  • Formula: C18H17N3O3

  • Molecular weight: 323.30

  • Smiles: CC(C)(C=C)C1=NC2=CC=CC=C2C1=CC3=C(NC(=O)C(=O)N3)O

  • Type: Indole dipeptide 23

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Neoechinulin e

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

Names

  • Mycotoxin name: Neoechinulin e

  • First synonym: Cryptoechinuline c

  • Synonyms: Cryptoechinuline C,Neoechinulin E,Q27896942

Identifiers / External links

Structure

  • Smiles: CC(C)(C=C)C1=NC2=CC=CC=C2C1=CC3=C(NC(=O)C(=O)N3)O

  • Isomeric smiles: CC(C)(C=C)C1=NC2=CC=CC=C2C1=CC3=C(NC(=O)C(=O)N3)O

  • Inchi: InChI=1S/C18H17N3O3/c1-4-18(2,3)14-11(10-7-5-6-8-12(10)19-14)9-13-15(22)21-17(24)16(23)20-13/h4-9H,1H2,2-3H3,(H,20,23)(H2,21,22,24)

  • Inchikey: WNXWQSWPZZTNHV-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H17N3O3

  • Molecular weight: 323.30

  • Monoisotopic mass: 323.12699141

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