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4-propanoyl-ht2 toxin

  • Formula: C25H36O9

  • Molecular weight: 480.50

  • Smiles: CCC(=O)OC1C(C2C3(C1(C4(CC(C(=CC4O2)C)OC(=O)CC(C)C)COC(=O)C)C)CO3)O

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4-propanoyl-ht2 toxin

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

Names

  • Mycotoxin name: 4-propanoyl-ht2 toxin

  • First synonym: 4-propanoyl-ht2 toxin

  • Synonyms: 4-Propanoyl-HT2 toxin,CHEBI:175767,[2-(acetyloxymethyl)-10-hydroxy-1,5-dimethyl-11-propanoyloxyspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate

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Structure

  • Smiles: CCC(=O)OC1C(C2C3(C1(C4(CC(C(=CC4O2)C)OC(=O)CC(C)C)COC(=O)C)C)CO3)O

  • Isomeric smiles: CCC(=O)OC1C(C2C3(C1(C4(CC(C(=CC4O2)C)OC(=O)CC(C)C)COC(=O)C)C)CO3)O

  • Inchi: InChI=1S/C25H36O9/c1-7-18(27)34-21-20(29)22-25(12-31-25)23(21,6)24(11-30-15(5)26)10-16(14(4)9-17(24)33-22)32-19(28)8-13(2)3/h9,13,16-17,20-22,29H,7-8,10-12H2,1-6H3

  • Inchikey: HHSVPRXLNYVHLR-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H36O9

  • Molecular weight: 480.50

  • Monoisotopic mass: 480.23593272

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