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Aspergione a

  • Formula: C16H18O4

  • Molecular weight: 274.31

  • Smiles: CC1CC2=C(C(O1)OC)C3=C(C=C2)C(=O)C(=C(O3)C)C

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Aspergione a

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

  • Mycotoxin name: Aspergione a

  • First synonym: Aspergione a

  • Synonyms: Aspergione A

Identifiers / External links

Structure

  • Smiles: CC1CC2=C(C(O1)OC)C3=C(C=C2)C(=O)C(=C(O3)C)C

  • Isomeric smiles: CC1CC2=C(C(O1)OC)C3=C(C=C2)C(=O)C(=C(O3)C)C

  • Inchi: InChI=1S/C16H18O4/c1-8-7-11-5-6-12-14(17)9(2)10(3)20-15(12)13(11)16(18-4)19-8/h5-6,8,16H,7H2,1-4H3

  • Inchikey: KNTFURPASNMXEY-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H18O4

  • Molecular weight: 274.31

  • Monoisotopic mass: 274.12050905

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