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Chaetoglobosin n

  • Formula: C33H38N2O5

  • Molecular weight: 542.70

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)CCC(=O)C(=O)C(=C1)C)C(=O)NC4C(C)C5=CNC6=CC=CC=C65)C)C

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Chaetoglobosin n

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

Names

  • Mycotoxin name: Chaetoglobosin n

  • First synonym: Chaetoglobosin n

  • Synonyms: Chaetoglobosin N

Identifiers / External links

Structure

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)CCC(=O)C(=O)C(=C1)C)C(=O)NC4C(C)C5=CNC6=CC=CC=C65)C)C

  • Isomeric smiles: CC/1C/C=C/C2C3C(O3)(C(C4C2(C(=O)CCC(=O)C(=O)/C(=C1)/C)C(=O)NC4C(C)C5=CNC6=CC=CC=C65)C)C

  • Inchi: InChI=1S/C33H38N2O5/c1-17-9-8-11-23-30-32(5,40-30)20(4)27-28(19(3)22-16-34-24-12-7-6-10-21(22)24)35-31(39)33(23,27)26(37)14-13-25(36)29(38)18(2)15-17/h6-8,10-12,15-17,19-20,23,27-28,30,34H,9,13-14H2,1-5H3,(H,35,39)/b11-8+,18-15-

  • Inchikey: KPZHIOQEYKRXQD-OIJFLVMVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C33H38N2O5

  • Molecular weight: 542.70

  • Monoisotopic mass: 542.27807232

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