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Arestrictin a

  • Formula: C29H39N3O3

  • Molecular weight: 477.60

  • Smiles: CC1C(=O)NC(C(=O)N1)C(C2=C(NC3=C2C=CC(=C3CC=C(C)C)CC=C(C)C)C(C)(C)C=C)O

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Arestrictin a

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

Names

  • Mycotoxin name: Arestrictin a

  • First synonym: Arestrictin a

  • Synonyms: Arestrictin A

Identifiers / External links

Structure

  • Smiles: CC1C(=O)NC(C(=O)N1)C(C2=C(NC3=C2C=CC(=C3CC=C(C)C)CC=C(C)C)C(C)(C)C=C)O

  • Isomeric smiles: C[C@H]1C(=O)N[C@H](C(=O)N1)C(C2=C(NC3=C2C=CC(=C3CC=C(C)C)CC=C(C)C)C(C)(C)C=C)O

  • Inchi: InChI=1S/C29H39N3O3/c1-9-29(7,8)26-22(25(33)24-28(35)30-18(6)27(34)32-24)21-15-13-19(12-10-16(2)3)20(23(21)31-26)14-11-17(4)5/h9-11,13,15,18,24-25,31,33H,1,12,14H2,2-8H3,(H,30,35)(H,32,34)/t18-,24-,25?/m0/s1

  • Inchikey: FAJDKWDVIHHSTP-SYZSWVGQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H39N3O3

  • Molecular weight: 477.60

  • Monoisotopic mass: 477.29914211

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