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Monaspurpurone

  • Formula: C13H14O5

  • Molecular weight: 250.25

  • Smiles: CC(=O)C1=C(C=C2CC(C(C(=O)C2=C1)(C)O)O)O

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Monaspurpurone

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

Names

  • Mycotoxin name: Monaspurpurone

  • First synonym: Monaspurpurone

  • Synonyms: Monaspurpurone

Identifiers / External links

Structure

  • Smiles: CC(=O)C1=C(C=C2CC(C(C(=O)C2=C1)(C)O)O)O

  • Isomeric smiles: CC(=O)C1=C(C=C2C[C@@H]([C@@](C(=O)C2=C1)(C)O)O)O

  • Inchi: InChI=1S/C13H14O5/c1-6(14)8-5-9-7(3-10(8)15)4-11(16)13(2,18)12(9)17/h3,5,11,15-16,18H,4H2,1-2H3/t11-,13+/m0/s1

  • Inchikey: NSRAXDCHRMOUJF-WCQYABFASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C13H14O5

  • Molecular weight: 250.25

  • Monoisotopic mass: 250.08412354

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