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Chaetoquadrin i

  • Formula: C19H20O6

  • Molecular weight: 344.40

  • Smiles: CC1CC(=O)C=C(O1)CCC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC

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Chaetoquadrin i

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

  • Mycotoxin name: Chaetoquadrin i

  • First synonym: Chaetoquadrin i

  • Synonyms: Chaetoquadrin I

Identifiers / External links

Structure

  • Smiles: CC1CC(=O)C=C(O1)CCC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC

  • Isomeric smiles: C[C@H]1CC(=O)C=C(O1)CCC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC

  • Inchi: InChI=1S/C19H20O6/c1-10-6-12(20)8-13(24-10)4-5-14-16(23-3)9-17-18(19(14)22)15(21)7-11(2)25-17/h7-10,22H,4-6H2,1-3H3/t10-/m0/s1

  • Inchikey: FFCFVSMYTTVAHJ-JTQLQIEISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H20O6

  • Molecular weight: 344.40

  • Monoisotopic mass: 344.12598835

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