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epicoccin f

  • Formula: C18H20N2O6S3

  • Molecular weight: 456.60

  • Smiles: C1C(C2CC34C(=O)N5C6C7CC5(C(=O)N3C2C(C1S4)O)SSC(C6O)CC7=O)O

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epicoccin f

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

  • Mycotoxin name: epicoccin f

  • First synonym: None

  • Synonyms: Epicoccin F,CHEBI:206356,(1S,4R,5S,6S,8S,9S,11S,14R,15S,16S,19S)-5,8,15-trihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.16,11.01,13.03,11.04,9.014,19]tricosane-2,12,18-trione

Identifiers / External links

Structure

  • Smiles: C1C(C2CC34C(=O)N5C6C7CC5(C(=O)N3C2C(C1S4)O)SSC(C6O)CC7=O)O

  • Isomeric smiles: C1[C@@H]([C@H]2C[C@]34C(=O)N5[C@@H]6[C@@H]7C[C@@]5(C(=O)N3[C@H]2[C@@H]([C@H]1S4)O)SS[C@H]([C@H]6O)CC7=O)O

  • Inchi: InChI=1S/C18H20N2O6S3/c21-7-1-9-13(23)11-5(7)3-17(27-9)15(25)20-12-6-4-18(20,16(26)19(11)17)29-28-10(14(12)24)2-8(6)22/h5-7,9-14,21,23-24H,1-4H2/t5-,6-,7+,9+,10+,11-,12-,13-,14-,17+,18+/m1/s1

  • Inchikey: HDEHHRCCINCEED-MJXKWBMFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H20N2O6S3

  • Molecular weight: 456.60

  • Monoisotopic mass: 456.04834988

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