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Fructigenine B

  • Formula: C24H31N3O3

  • Molecular weight: 409.50

  • Smiles: CC(C)CC1C(=O)N2C(CC3(C2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C(=O)N1

  • Type: Diketopiperazine alkaloid

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Fructigenine B

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

Names

  • Mycotoxin name: Fructigenine B

  • First synonym: None

  • Synonyms: Fructigenine B,NSC638032,NSC-638032

Identifiers / External links

Structure

  • Smiles: CC(C)CC1C(=O)N2C(CC3(C2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C(=O)N1

  • Isomeric smiles: CC(C)C[C@H]1C(=O)N2[C@H]3[C@@](CC2C(=O)N1)(C4=CC=CC=C4N3C(=O)C)C(C)(C)C=C

  • Inchi: InChI=1S/C24H31N3O3/c1-7-23(5,6)24-13-19-20(29)25-17(12-14(2)3)21(30)27(19)22(24)26(15(4)28)18-11-9-8-10-16(18)24/h7-11,14,17,19,22H,1,12-13H2,2-6H3,(H,25,29)/t17-,19?,22-,24+/m0/s1

  • Inchikey: BMRZKNPRSPWNNW-LNJIOELTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H31N3O3

  • Molecular weight: 409.50

  • Monoisotopic mass: 409.23654186

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