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Plastatin

  • Formula: C28H19NO11

  • Molecular weight: 545.40

  • Smiles: CC1CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C4C(=O)C5=C(C=C6CC(OC(=O)C6=C5O)C)C(=O)C4=O)C(=C3O)N

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Plastatin

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

  • Mycotoxin name: Plastatin

  • First synonym: Plastatin

  • Synonyms: Plastatin

Identifiers / External links

Structure

  • Smiles: CC1CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C4C(=O)C5=C(C=C6CC(OC(=O)C6=C5O)C)C(=O)C4=O)C(=C3O)N

  • Isomeric smiles: C[C@@H]1CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C4C(=O)C5=C(C=C6C[C@H](OC(=O)C6=C5O)C)C(=O)C4=O)C(=C3O)N

  • Inchi: InChI=1S/C28H19NO11/c1-7-3-9-5-11-15(22(32)13(9)27(37)39-7)24(34)17(19(29)20(11)30)18-25(35)16-12(21(31)26(18)36)6-10-4-8(2)40-28(38)14(10)23(16)33/h5-8,30,32-33H,3-4,29H2,1-2H3/t7-,8-/m1/s1

  • Inchikey: RPHPBPNMLQDDKA-HTQZYQBOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H19NO11

  • Molecular weight: 545.40

  • Monoisotopic mass: 545.09581042

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