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Pistillarin

  • Formula: C21H27N3O6

  • Molecular weight: 417.50

  • Smiles: C1=CC(=C(C=C1C(=O)NCCCCNCCCNC(=O)C2=CC(=C(C=C2)O)O)O)O

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Pistillarin

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

Names

  • Mycotoxin name: Pistillarin

  • First synonym: Pistillarin

  • Synonyms: Pistillarin,N-(3-((4-(3,4-Dihydroxybenzamido)butyl)amino)propyl)-3,4-dihydroxybenzamide,89647-69-8

Identifiers / External links

Structure

  • Smiles: C1=CC(=C(C=C1C(=O)NCCCCNCCCNC(=O)C2=CC(=C(C=C2)O)O)O)O

  • Isomeric smiles: C1=CC(=C(C=C1C(=O)NCCCCNCCCNC(=O)C2=CC(=C(C=C2)O)O)O)O

  • Inchi: InChI=1S/C21H27N3O6/c25-16-6-4-14(12-18(16)27)20(29)23-10-2-1-8-22-9-3-11-24-21(30)15-5-7-17(26)19(28)13-15/h4-7,12-13,22,25-28H,1-3,8-11H2,(H,23,29)(H,24,30)

  • Inchikey: ZQCQBKSAEOIDQN-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H27N3O6

  • Molecular weight: 417.50

  • Monoisotopic mass: 417.18998559

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