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Phomodione

  • Formula: C20H22O8

  • Molecular weight: 390.40

  • Smiles: CC1=C(C(=C2C(=C1OC)C3(C(=O)C(C(=O)CC3(O2)OC)C(=O)C)C)C(=O)C)O

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Phomodione

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

  • Mycotoxin name: Phomodione

  • First synonym: None

  • Synonyms: Phomodione,CHEBI:197753,(4aR,9bS)-2,6-diacetyl-7-hydroxy-4a,9-dimethoxy-8,9b-dimethyl-4H-dibenzouran-1,3-dione,(4aS(*),9bR(*))-2,6-diacetyl-7-hydroxy-4a,9-dimethoxy-8,9b-dimethyl-4a.9b-dihydrodibenzo(b,d)furan-1,3(2H,4H)-dione,1008777-27-2

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Structure

  • Smiles: CC1=C(C(=C2C(=C1OC)C3(C(=O)C(C(=O)CC3(O2)OC)C(=O)C)C)C(=O)C)O

  • Isomeric smiles: CC1=C(C(=C2C(=C1OC)[C@]3(C(=O)C(C(=O)C[C@]3(O2)OC)C(=O)C)C)C(=O)C)O

  • Inchi: InChI=1S/C20H22O8/c1-8-15(24)13(10(3)22)17-14(16(8)26-5)19(4)18(25)12(9(2)21)11(23)7-20(19,27-6)28-17/h12,24H,7H2,1-6H3/t12?,19-,20+/m0/s1

  • Inchikey: SBCSGCNJMDGECZ-IWSJWDQHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H22O8

  • Molecular weight: 390.40

  • Monoisotopic mass: 390.13146766

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