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Stachybotrin A

  • Formula: C23H31NO5

  • Molecular weight: 401.50

  • Smiles: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CNC3=O)O)O)C)CO)C

  • Type: Pyranoisoindole

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Stachybotrin A

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

  • Mycotoxin name: Stachybotrin A

  • First synonym: None

  • Synonyms: Stachybotrin A,(2S,3S)-3,5-dihydroxy-2-[(3E)-4-(hydroxymethyl)-8-methylnona-3,7-dienyl]-2-methyl-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-7-one,(2S,3S)-3,5-dihydroxy-2-((3E)-4-(hydroxymethyl)-8-methylnona-3,7-dienyl)-2-methyl-3,4,8,9-tetrahydropyrano(2,3-e)isoindol-7-one,CHEBI:197746

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Structure

  • Smiles: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CNC3=O)O)O)C)CO)C

  • Isomeric smiles: CC(=CCC/C(=C\CC[C@]1([C@H](CC2=C(C=C3C(=C2O1)CNC3=O)O)O)C)/CO)C

  • Inchi: InChI=1S/C23H31NO5/c1-14(2)6-4-7-15(13-25)8-5-9-23(3)20(27)11-17-19(26)10-16-18(21(17)29-23)12-24-22(16)28/h6,8,10,20,25-27H,4-5,7,9,11-13H2,1-3H3,(H,24,28)/b15-8+/t20-,23-/m0/s1

  • Inchikey: ZVZKOARXMVUPBB-KWOFNGTCSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H31NO5

  • Molecular weight: 401.50

  • Monoisotopic mass: 401.22022309

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