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pyridoxatin

  • Formula: C15H21NO3

  • Molecular weight: 263.33

  • Smiles: CC1CC(C(C(C1)C=C)C2=C(C=CN(C2=O)O)O)C

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pyridoxatin

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

Names

  • Mycotoxin name: pyridoxatin

  • First synonym: Pyridoxatin

  • Synonyms: Pyridoxatin,135529-30-5,3-[(1S,2R,4S,6R)-2-ethenyl-4,6-dimethylcyclohexyl]-1,4-dihydroxypyridin-2-one,tolypocin,Pyridoxatine,(-)-Pyridoxatin,Acremonium BX 86 factor,CHEBI:84035,DTXSID70159458,BX 86,J-006714,Q27157419,3-((1S,2R,4S,6R)-2,4-Dimethyl-6-vinylcyclohexyl)-1,4-dihydroxypyridin-2(1H)-one,3-[(1S,2R,4S,6R)-6-ethenyl-2,4-dimethylcyclohexyl]-1,4-dihydroxypyridin-2(1H)-one,2(1H)-Pyridinone, 3-(2-ethenyl-4,6-dimethylcyclohexyl)-1,4-dihydroxy-, (1alpha,2beta,4beta,6beta)-,3-[(1S)-4beta,6beta-Dimethyl-2beta-ethenylcyclohexan-1alpha-yl]-1,4-dihydroxypyridin-2(1H)-one

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Structure

  • Smiles: CC1CC(C(C(C1)C=C)C2=C(C=CN(C2=O)O)O)C

  • Isomeric smiles: C[C@H]1C[C@H]([C@@H]([C@H](C1)C=C)C2=C(C=CN(C2=O)O)O)C

  • Inchi: InChI=1S/C15H21NO3/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16(19)15(14)18/h4-6,9-11,13,17,19H,1,7-8H2,2-3H3/t9-,10+,11-,13-/m0/s1

  • Inchikey: OQJADHLOEAOIGC-NOHGZBONSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H21NO3

  • Molecular weight: 263.33

  • Monoisotopic mass: 263.15214353

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