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Roseotoxin A

  • Formula: C31H53N5O7

  • Molecular weight: 607.80

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCC(C2C(=O)N1)C)CC(C)C)C)C)C(C)C)C

  • Type: Cyclodepsipeptide

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Roseotoxin A

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

Names

  • Mycotoxin name: Roseotoxin A

  • First synonym: None

  • Synonyms: Roseotoxin A

Identifiers / External links

Structure

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCC(C2C(=O)N1)C)CC(C)C)C)C)C(C)C)C

  • Isomeric smiles: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCC(C2C(=O)N1)C)CC(C)C)C)C)C(C)C)C

  • Inchi: InChI=1S/C31H53N5O7/c1-11-19(6)24-30(41)35(10)25(18(4)5)31(42)34(9)21(8)27(38)32-14-12-23(37)43-22(16-17(2)3)29(40)36-15-13-20(7)26(36)28(39)33-24/h17-22,24-26H,11-16H2,1-10H3,(H,32,38)(H,33,39)

  • Inchikey: IXHIUUIJSWNPTJ-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C31H53N5O7

  • Molecular weight: 607.80

  • Monoisotopic mass: 607.39449905

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