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Pyrenocine e

  • Formula: C12H16O5

  • Molecular weight: 240.25

  • Smiles: CC1=C(C(=CC(=O)O1)OC)C(=O)CC(C)OC

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Pyrenocine e

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

Names

  • Mycotoxin name: Pyrenocine e

  • First synonym: Pyrenocine e

  • Synonyms: Pyrenocine E,BS-1474

Identifiers / External links

  • CAS: 208390-05-0

  • PubChem CID: 10376983

Structure

  • Smiles: CC1=C(C(=CC(=O)O1)OC)C(=O)CC(C)OC

  • Isomeric smiles: CC1=C(C(=CC(=O)O1)OC)C(=O)CC(C)OC

  • Inchi: InChI=1S/C12H16O5/c1-7(15-3)5-9(13)12-8(2)17-11(14)6-10(12)16-4/h6-7H,5H2,1-4H3

  • Inchikey: VYMFDNISAJNCNA-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C12H16O5

  • Molecular weight: 240.25

  • Monoisotopic mass: 240.09977361

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