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Alanditrypinone

  • Formula: C32H26N6O3

  • Molecular weight: 542.60

  • Smiles: CC12C3=NC4=CC=CC=C4C(=O)N3C(CC15C6NC(C(=O)N6C7=CC=CC=C57)CC8=CNC9=CC=CC=C98)C(=O)N2

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Alanditrypinone

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

Names

  • Mycotoxin name: Alanditrypinone

  • First synonym: Alanditrypinone

  • Synonyms: Alanditrypinone

Identifiers / External links

Structure

  • Smiles: CC12C3=NC4=CC=CC=C4C(=O)N3C(CC15C6NC(C(=O)N6C7=CC=CC=C57)CC8=CNC9=CC=CC=C98)C(=O)N2

  • Isomeric smiles: C[C@]12C3=NC4=CC=CC=C4C(=O)N3[C@H](C[C@]15[C@H]6N[C@@H](C(=O)N6C7=CC=CC=C57)CC8=CNC9=CC=CC=C98)C(=O)N2

  • Inchi: InChI=1S/C32H26N6O3/c1-31-29-34-22-12-6-3-9-19(22)27(40)38(29)25(26(39)36-31)15-32(31)20-10-4-7-13-24(20)37-28(41)23(35-30(32)37)14-17-16-33-21-11-5-2-8-18(17)21/h2-13,16,23,25,30,33,35H,14-15H2,1H3,(H,36,39)/t23-,25-,30+,31+,32+/m1/s1

  • Inchikey: XGMSBFCARQKIOJ-PGFNPXHBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H26N6O3

  • Molecular weight: 542.60

  • Monoisotopic mass: 542.20663871

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