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Penisimplicissin

  • Formula: C16H14O6

  • Molecular weight: 302.28

  • Smiles: CC1=CC(=O)C(=CO1)C2C3=C(C=C(C=C3OC)OC)C(=O)O2

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Penisimplicissin

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

Names

  • Mycotoxin name: Penisimplicissin

  • First synonym: Penisimplicissin

  • Synonyms: PENISIMPLICISSIN,CHEMBL2024577

Identifiers / External links

Structure

  • Smiles: CC1=CC(=O)C(=CO1)C2C3=C(C=C(C=C3OC)OC)C(=O)O2

  • Isomeric smiles: CC1=CC(=O)C(=CO1)[C@H]2C3=C(C=C(C=C3OC)OC)C(=O)O2

  • Inchi: InChI=1S/C16H14O6/c1-8-4-12(17)11(7-21-8)15-14-10(16(18)22-15)5-9(19-2)6-13(14)20-3/h4-7,15H,1-3H3/t15-/m0/s1

  • Inchikey: FKFNGBPZNWNWSG-HNNXBMFYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H14O6

  • Molecular weight: 302.28

  • Monoisotopic mass: 302.07903816

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