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Epicoccin e

  • Formula: C18H18N2O7S2

  • Molecular weight: 438.50

  • Smiles: C1C2C(C3C(C1=O)CC4(N3C(=O)C56CC7C(N5C4=O)C(C(C(C7=O)S6)O)O)S2)O

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Epicoccin e

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

Names

  • Mycotoxin name: Epicoccin e

  • First synonym: Epicoccin e

  • Synonyms: Epicoccin E,CHEMBL1173393

Identifiers / External links

Structure

  • Smiles: C1C2C(C3C(C1=O)CC4(N3C(=O)C56CC7C(N5C4=O)C(C(C(C7=O)S6)O)O)S2)O

  • Isomeric smiles: C1[C@H]2[C@H]([C@H]3[C@@H](C1=O)C[C@]4(N3C(=O)[C@@]56C[C@H]7[C@@H](N5C4=O)[C@@H]([C@@H]([C@H](C7=O)S6)O)O)S2)O

  • Inchi: InChI=1S/C18H18N2O7S2/c21-6-1-7-11(23)8-4(6)2-17(28-7)15(26)20-9-5-3-18(20,16(27)19(8)17)29-14(10(5)22)13(25)12(9)24/h4-5,7-9,11-14,23-25H,1-3H2/t4-,5+,7+,8-,9-,11-,12+,13+,14+,17+,18+/m1/s1

  • Inchikey: KVJHKMONYMMFLY-DRHIPVLPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H18N2O7S2

  • Molecular weight: 438.50

  • Monoisotopic mass: 438.05554326

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