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9-hydroperoxyoctadecadienoic acid

  • Formula: C18H32O4

  • Molecular weight: 312.40

  • Smiles: CCCCCCCCCC(CCCC=CC=CC(=O)O)OO

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9-hydroperoxyoctadecadienoic acid

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

Names

  • Mycotoxin name: 9-hydroperoxyoctadecadienoic acid

  • First synonym: Schembl1395116

  • Synonyms: SCHEMBL1395116,9-hydroperoxyoctadecadienoic acid

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Structure

  • Smiles: CCCCCCCCCC(CCCC=CC=CC(=O)O)OO

  • Isomeric smiles: CCCCCCCCCC(CCC/C=C/C=C/C(=O)O)OO

  • Inchi: InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h7,10,13,16-17,21H,2-6,8-9,11-12,14-15H2,1H3,(H,19,20)/b10-7+,16-13+

  • Inchikey: XDPDIOHFEPDAFI-NJKRNUQASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H32O4

  • Molecular weight: 312.40

  • Monoisotopic mass: 312.2300595

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