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Asperfumigatin

  • Formula: C26H31N3O7

  • Molecular weight: 497.50

  • Smiles: CC(=CC(=O)N1C2=C(C=CC(=C2)OC)C3=C1C(N4C(=O)C5CCCN5C(=O)C4(C3O)O)C(C)(C)O)C

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Asperfumigatin

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

Names

  • Mycotoxin name: Asperfumigatin

  • First synonym: Asperfumigatin

  • Synonyms: Asperfumigatin

Identifiers / External links

Structure

  • Smiles: CC(=CC(=O)N1C2=C(C=CC(=C2)OC)C3=C1C(N4C(=O)C5CCCN5C(=O)C4(C3O)O)C(C)(C)O)C

  • Isomeric smiles: CC(=CC(=O)N1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@H]3O)O)C(C)(C)O)C

  • Inchi: InChI=1S/C26H31N3O7/c1-13(2)11-18(30)28-17-12-14(36-5)8-9-15(17)19-20(28)21(25(3,4)34)29-23(32)16-7-6-10-27(16)24(33)26(29,35)22(19)31/h8-9,11-12,16,21-22,31,34-35H,6-7,10H2,1-5H3/t16-,21+,22-,26+/m0/s1

  • Inchikey: RSHXVOKGTKPYNS-VWXOGXHKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H31N3O7

  • Molecular weight: 497.50

  • Monoisotopic mass: 497.21620034

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