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Chaetoquadrin f

  • Formula: C9H12O4

  • Molecular weight: 184.19

  • Smiles: CC1=C(C=C(OC1=O)CC(C)O)O

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Chaetoquadrin f

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

Names

  • Mycotoxin name: Chaetoquadrin f

  • First synonym: Chaetoquadrin f

  • Synonyms: Chaetoquadrin F,2-Hydroxy-3-methyl-6-[(S)-2-hydroxypropyl]-4H-pyran-4-one

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Structure

  • Smiles: CC1=C(C=C(OC1=O)CC(C)O)O

  • Isomeric smiles: CC1=C(C=C(OC1=O)C[C@H](C)O)O

  • Inchi: InChI=1S/C9H12O4/c1-5(10)3-7-4-8(11)6(2)9(12)13-7/h4-5,10-11H,3H2,1-2H3/t5-/m0/s1

  • Inchikey: GGKULMZJHUQCEJ-YFKPBYRVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C9H12O4

  • Molecular weight: 184.19

  • Monoisotopic mass: 184.07355886

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