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Chaetoatrosin a

  • Formula: C14H14O5

  • Molecular weight: 262.26

  • Smiles: CC(C(=O)C1=CC(=C2C(=C1)C=C(C=C2O)OC)O)O

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Chaetoatrosin a

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

Names

  • Mycotoxin name: Chaetoatrosin a

  • First synonym: Chaetoatrosin a

  • Synonyms: Chaetoatrosin A,chaetoatrosin-a,SCHEMBL12800163

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Structure

  • Smiles: CC(C(=O)C1=CC(=C2C(=C1)C=C(C=C2O)OC)O)O

  • Isomeric smiles: CC(C(=O)C1=CC(=C2C(=C1)C=C(C=C2O)OC)O)O

  • Inchi: InChI=1S/C14H14O5/c1-7(15)14(18)9-3-8-4-10(19-2)6-12(17)13(8)11(16)5-9/h3-7,15-17H,1-2H3

  • Inchikey: XPOXRISVRJOBAH-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C14H14O5

  • Molecular weight: 262.26

  • Monoisotopic mass: 262.08412354

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