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Phaseolinone

  • Formula: C15H20O5

  • Molecular weight: 280.32

  • Smiles: CC1C(CCC2=CC(=O)C3(C(C12C)O3)C4(CO4)CO)O

  • Type: Naphthoxirene

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Phaseolinone

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

Names

  • Mycotoxin name: Phaseolinone

  • First synonym: Phaseolinone

  • Synonyms: Phaseolinone,85431-61-4,UNII-OI28985TOJ,OI28985TOJ,(1aS,6R,7R,7aR,7bR)-6-hydroxy-1a-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one,Naphth(1,2-b)oxiren-2(1aH)-one, 4,5,6,7,7a,7b-hexahydro-6-hydroxy-1a-((2R)-2-(hydroxymethyl)oxiranyl)-7,7a-dimethyl-, (1aS,6R,7R,7aR,7bR)-,CCRIS 1276,DTXSID901005947,Q27285663,6-Hydroxy-1a-[2-(hydroxymethyl)oxiran-2-yl]-7,7a-dimethyl-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1aH)-one

Identifiers / External links

Structure

  • Smiles: CC1C(CCC2=CC(=O)C3(C(C12C)O3)C4(CO4)CO)O

  • Isomeric smiles: C[C@H]1[C@@H](CCC2=CC(=O)[C@]3([C@@H]([C@]12C)O3)[C@]4(CO4)CO)O

  • Inchi: InChI=1S/C15H20O5/c1-8-10(17)4-3-9-5-11(18)15(14(6-16)7-19-14)12(20-15)13(8,9)2/h5,8,10,12,16-17H,3-4,6-7H2,1-2H3/t8-,10+,12+,13+,14+,15-/m0/s1

  • Inchikey: DDKJQSAECJSUNP-OCZRQZLOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H20O5

  • Molecular weight: 280.32

  • Monoisotopic mass: 280.13107373

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