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Paeciloquinone b

  • Formula: C20H16O9

  • Molecular weight: 400.30

  • Smiles: CC(=O)CCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)C(=O)O

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Paeciloquinone b

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

  • Mycotoxin name: Paeciloquinone b

  • First synonym: Paeciloquinone b

  • Synonyms: Paeciloquinone B

Identifiers / External links

Structure

  • Smiles: CC(=O)CCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)C(=O)O

  • Isomeric smiles: CC(=O)CCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)C(=O)O

  • Inchi: InChI=1S/C20H16O9/c1-7(21)2-3-9(20(28)29)14-13(24)6-11-16(18(14)26)19(27)15-10(17(11)25)4-8(22)5-12(15)23/h4-6,9,22-24,26H,2-3H2,1H3,(H,28,29)

  • Inchikey: HTBJCSXYMPBHJQ-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H16O9

  • Molecular weight: 400.30

  • Monoisotopic mass: 400.07943208

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