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Ascoquinone a

  • Formula: C30H18O15

  • Molecular weight: 618.50

  • Smiles: C1=C(C(=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3O)O)O)O)O)COCC4=CC5=C(C(=C4O)O)C(=O)C6=C(C5=O)C(=C(C=C6O)O)O

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Ascoquinone a

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

Names

  • Mycotoxin name: Ascoquinone a

  • First synonym: Ascoquinone a

  • Synonyms: Ascoquinone A,156430-23-8

Identifiers / External links

Structure

  • Smiles: C1=C(C(=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3O)O)O)O)O)COCC4=CC5=C(C(=C4O)O)C(=O)C6=C(C5=O)C(=C(C=C6O)O)O

  • Isomeric smiles: C1=C(C(=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3O)O)O)O)O)COCC4=CC5=C(C(=C4O)O)C(=O)C6=C(C5=O)C(=C(C=C6O)O)O

  • Inchi: InChI=1S/C30H18O15/c31-11-3-13(33)25(39)19-17(11)27(41)15-9(23(19)37)1-7(21(35)29(15)43)5-45-6-8-2-10-16(30(44)22(8)36)28(42)18-12(32)4-14(34)26(40)20(18)24(10)38/h1-4,31-36,39-40,43-44H,5-6H2

  • Inchikey: ZAOGJEBDIPWARJ-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H18O15

  • Molecular weight: 618.50

  • Monoisotopic mass: 618.06456986

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