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Stachybotrin

  • Formula: C25H35NO5

  • Molecular weight: 429.50

  • Smiles: CC1CCC2C(C(CCC2(C13CC4=C(C=C(C(=C4O3)CO)C5=NCCO5)O)C)O)(C)C

  • Type: Spirofuroisoindole

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Stachybotrin

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

Names

  • Mycotoxin name: Stachybotrin

  • First synonym: None

  • Synonyms: Stachybotrin,CHEBI:206196,(2R,4aS,5R,6R,8aS)-6'-(4,5-dihydro-1,3-oxazol-2-yl)-7'-(hydroxymethyl)-1,1,4a,6-tetramethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-3H-1-benzouran]-2,4'-diol

Identifiers / External links

Structure

  • Smiles: CC1CCC2C(C(CCC2(C13CC4=C(C=C(C(=C4O3)CO)C5=NCCO5)O)C)O)(C)C

  • Isomeric smiles: C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(C=C(C(=C4O3)CO)C5=NCCO5)O)(CC[C@H](C2(C)C)O)C

  • Inchi: InChI=1S/C25H35NO5/c1-14-5-6-19-23(2,3)20(29)7-8-24(19,4)25(14)12-16-18(28)11-15(22-26-9-10-30-22)17(13-27)21(16)31-25/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3/t14-,19+,20-,24+,25-/m1/s1

  • Inchikey: ZSDLLDNVSGVBTP-TUJJLKMMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H35NO5

  • Molecular weight: 429.50

  • Monoisotopic mass: 429.25152322

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