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Isoasperflavin

  • Formula: C16H16O5

  • Molecular weight: 288.29

  • Smiles: CC1CC(=O)C2=C(C3=C(C=C(C=C3C=C2C1O)O)OC)O

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Isoasperflavin

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

Names

  • Mycotoxin name: Isoasperflavin

  • First synonym: Isoasperflavin

  • Synonyms: Isoasperflavin,CHEMBL573782,SCHEMBL16226849

Identifiers / External links

Structure

  • Smiles: CC1CC(=O)C2=C(C3=C(C=C(C=C3C=C2C1O)O)OC)O

  • Isomeric smiles: C[C@@H]1CC(=O)C2=C(C3=C(C=C(C=C3C=C2[C@H]1O)O)OC)O

  • Inchi: InChI=1S/C16H16O5/c1-7-3-11(18)14-10(15(7)19)5-8-4-9(17)6-12(21-2)13(8)16(14)20/h4-7,15,17,19-20H,3H2,1-2H3/t7-,15+/m1/s1

  • Inchikey: USXWNPRVDQRHME-MLXNANBUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H16O5

  • Molecular weight: 288.29

  • Monoisotopic mass: 288.09977361

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