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Chetoseminudin b

  • Formula: C17H21N3O3S2

  • Molecular weight: 379.50

  • Smiles: CN1C(=O)C(NC(=O)C1(CO)SC)(CC2=CNC3=CC=CC=C32)SC

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Chetoseminudin b

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

Names

  • Mycotoxin name: Chetoseminudin b

  • First synonym: Chetoseminudin b

  • Synonyms: chetoseminudin B

Identifiers / External links

Structure

  • Smiles: CN1C(=O)C(NC(=O)C1(CO)SC)(CC2=CNC3=CC=CC=C32)SC

  • Isomeric smiles: CN1C(=O)[C@](NC(=O)[C@]1(CO)SC)(CC2=CNC3=CC=CC=C32)SC

  • Inchi: InChI=1S/C17H21N3O3S2/c1-20-15(23)16(24-2,19-14(22)17(20,10-21)25-3)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9,18,21H,8,10H2,1-3H3,(H,19,22)/t16-,17-/m0/s1

  • Inchikey: CCPHAMSKHBDMDS-IRXDYDNUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H21N3O3S2

  • Molecular weight: 379.50

  • Monoisotopic mass: 379.10243389

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