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Penicillenol a1

  • Formula: C16H27NO4

  • Molecular weight: 297.39

  • Smiles: CCCCCCC(C)C(=C1C(=O)C(N(C1=O)C)C(C)O)O

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Penicillenol a1

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

Names

  • Mycotoxin name: Penicillenol a1

  • First synonym: Penicillenol a1

  • Synonyms: penicillenol A1

Identifiers / External links

Structure

  • Smiles: CCCCCCC(C)C(=C1C(=O)C(N(C1=O)C)C(C)O)O

  • Isomeric smiles: CCCCCCC(C)/C(=C/1\C(=O)[C@@H](N(C1=O)C)C(C)O)/O

  • Inchi: InChI=1S/C16H27NO4/c1-5-6-7-8-9-10(2)14(19)12-15(20)13(11(3)18)17(4)16(12)21/h10-11,13,18-19H,5-9H2,1-4H3/b14-12-/t10?,11?,13-/m0/s1

  • Inchikey: KWUIFAHSOVLDLQ-QZDCTXLUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H27NO4

  • Molecular weight: 297.39

  • Monoisotopic mass: 297.19400834

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