Logo Anses
Logo Interreg

Aspergione e

  • Formula: C16H18O4

  • Molecular weight: 274.31

  • Smiles: CC1=C(OC2=C(C1=O)C=CC3=C2COC(C3)(C)OC)C

Download

Aspergione e

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

Names

  • Mycotoxin name: Aspergione e

  • First synonym: Aspergione e

  • Synonyms: aspergione E,CHEMBL453547

Identifiers / External links

Structure

  • Smiles: CC1=C(OC2=C(C1=O)C=CC3=C2COC(C3)(C)OC)C

  • Isomeric smiles: CC1=C(OC2=C(C1=O)C=CC3=C2COC(C3)(C)OC)C

  • Inchi: InChI=1S/C16H18O4/c1-9-10(2)20-15-12(14(9)17)6-5-11-7-16(3,18-4)19-8-13(11)15/h5-6H,7-8H2,1-4H3

  • Inchikey: DAPPTUOQTOLWOO-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H18O4

  • Molecular weight: 274.31

  • Monoisotopic mass: 274.12050905

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