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Pseurotin a1

  • Formula: C22H25NO8

  • Molecular weight: 431.40

  • Smiles: CCC=CC(C(C1=C(C(=O)C2(O1)C(C(NC2=O)(C(=O)C3=CC=CC=C3)OC)O)C)O)O

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Pseurotin a1

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

Names

  • Mycotoxin name: Pseurotin a1

  • First synonym: Pseurotin a1

  • Synonyms: PSEUROTIN A1,CHEMBL2229123

Identifiers / External links

Structure

  • Smiles: CCC=CC(C(C1=C(C(=O)C2(O1)C(C(NC2=O)(C(=O)C3=CC=CC=C3)OC)O)C)O)O

  • Isomeric smiles: CCC=C[C@@H]([C@@H](C1=C(C(=O)[C@@]2(O1)[C@@H]([C@@](NC2=O)(C(=O)C3=CC=CC=C3)OC)O)C)O)O

  • Inchi: InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/t14-,15-,19-,21+,22+/m0/s1

  • Inchikey: SLYDIPAXCVVRNY-DMSUYQCJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H25NO8

  • Molecular weight: 431.40

  • Monoisotopic mass: 431.15801676

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