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Isoepoxydon

  • Formula: C7H8O4

  • Molecular weight: 156.14

  • Smiles: C1=C(C(=O)C2C(C1O)O2)CO

  • Type: Cyclohexenone (Patulin precursor)

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Isoepoxydon

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

Names

  • Mycotoxin name: Isoepoxydon

  • First synonym: None

  • Synonyms: Isoepoxydon,67772-76-3,Epiepoxydon,(+)-epiepoxydon,NSC326233,NSC-326233,(1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one,(+)-Epiepoxydone,PJ4PK27L5K,(+)-isoepoxydon,(1R,5S,6R)-5-HYDROXY-3-(HYDROXYMETHYL)-7-OXABICYCLO(4.1.0)HEPT-3-EN-2-ONE,EPIEPOXYDONE,ISOEPOXYDONE,ISO-EPOXYDONE,EPOXYDON, EPI-,CHEMBL443078,SCHEMBL13612145,VTLJDPHPVHSVGR-JHYUDYDFSA-,CHEBI:145109,ISOMER OF EPOXYDON 93049,NCI60_002828,5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2- en-1-one,(4R,5S,6S)-5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one,(4S,5R,6R)-5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one,7-OXABICYCLO(4.1.0)HEPT-3-EN-2-ONE, 5-HYDROXY-3-(HYDROXYMETHYL)-, (1R,5S,6R)-,InChI=1/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,4,6-9H,2H2/t4-,6+,7-/m0/s1

Identifiers / External links

Structure

  • Smiles: C1=C(C(=O)C2C(C1O)O2)CO

  • Isomeric smiles: C1=C(C(=O)[C@H]2[C@@H]([C@H]1O)O2)CO

  • Inchi: InChI=1S/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,4,6-9H,2H2/t4-,6+,7-/m0/s1

  • Inchikey: VTLJDPHPVHSVGR-JHYUDYDFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C7H8O4

  • Molecular weight: 156.14

  • Monoisotopic mass: 156.04225873

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