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Phomapentenone a

  • Formula: C14H24O3

  • Molecular weight: 240.34

  • Smiles: CCCC(C1C(C=C(C1=O)C)CC(CC)O)O

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Phomapentenone a

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

Names

  • Mycotoxin name: Phomapentenone a

  • First synonym: Phomapentenone a

  • Synonyms: Phomapentenone A

Identifiers / External links

Structure

  • Smiles: CCCC(C1C(C=C(C1=O)C)CC(CC)O)O

  • Isomeric smiles: CCCC([C@H]1[C@@H](C=C(C1=O)C)CC(CC)O)O

  • Inchi: InChI=1S/C14H24O3/c1-4-6-12(16)13-10(8-11(15)5-2)7-9(3)14(13)17/h7,10-13,15-16H,4-6,8H2,1-3H3/t10-,11?,12?,13+/m0/s1

  • Inchikey: LPDQFFNVQREPBA-YWPUVAFDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C14H24O3

  • Molecular weight: 240.34

  • Monoisotopic mass: 240.17254462

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