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Epoxyexserohilone

  • Formula: C20H22N2O6S2

  • Molecular weight: 450.50

  • Smiles: CSC12CC3=CC(C4C(C3N1C(=O)C5(CC6=CC(C7C(C6N5C2=O)O7)O)SC)O4)O

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Epoxyexserohilone

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

Names

  • Mycotoxin name: Epoxyexserohilone

  • First synonym: Epoxyexserohilone

  • Synonyms: Epoxyexserohilone,Mycoediketopiperazine

Identifiers / External links

Structure

  • Smiles: CSC12CC3=CC(C4C(C3N1C(=O)C5(CC6=CC(C7C(C6N5C2=O)O7)O)SC)O4)O

  • Isomeric smiles: CS[C@@]12CC3=C[C@@H]([C@H]4[C@@H]([C@H]3N1C(=O)[C@@]5(CC6=C[C@@H]([C@H]7[C@@H]([C@H]6N5C2=O)O7)O)SC)O4)O

  • Inchi: InChI=1S/C20H22N2O6S2/c1-29-19-5-7-3-9(23)13-15(27-13)11(7)21(19)18(26)20(30-2)6-8-4-10(24)14-16(28-14)12(8)22(20)17(19)25/h3-4,9-16,23-24H,5-6H2,1-2H3/t9-,10-,11-,12-,13-,14-,15+,16+,19+,20+/m0/s1

  • Inchikey: OEIROMRXQGXKHD-QMRLQHLMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H22N2O6S2

  • Molecular weight: 450.50

  • Monoisotopic mass: 450.09192877

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