Logo Anses
Logo Interreg

Aspergillusol a

  • Formula: C22H24N2O10

  • Molecular weight: 476.40

  • Smiles: C1=CC(=CC=C1CC(=NO)C(=O)OCC(C(COC(=O)C(=NO)CC2=CC=C(C=C2)O)O)O)O

Download

Aspergillusol a

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

Names

  • Mycotoxin name: Aspergillusol a

  • First synonym: Aspergillusol a

  • Synonyms: Aspergillusol A,[(2S,3R)-2,3-dihydroxy-4-[(2Z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoyl]oxy-butyl] (2Z)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoate

Identifiers / External links

Structure

  • Smiles: C1=CC(=CC=C1CC(=NO)C(=O)OCC(C(COC(=O)C(=NO)CC2=CC=C(C=C2)O)O)O)O

  • Isomeric smiles: C1=CC(=CC=C1C/C(=N/O)/C(=O)OC[C@@H](O)[C@@H](O)COC(=O)/C(=N\O)/CC2=CC=C(C=C2)O)O

  • Inchi: InChI=1S/C22H24N2O10/c25-15-5-1-13(2-6-15)9-17(23-31)21(29)33-11-19(27)20(28)12-34-22(30)18(24-32)10-14-3-7-16(26)8-4-14/h1-8,19-20,25-28,31-32H,9-12H2/b23-17-,24-18-/t19-,20+

  • Inchikey: BXRQJOBHKCDAJW-KMMADPOHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H24N2O10

  • Molecular weight: 476.40

  • Monoisotopic mass: 476.14309497

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi