13-hydroperoxyoctadecadienoic acid

  • Formula: C18H32O4

  • Molecular weight: 312.40

  • Smiles: CCCCCC(CCCCCCCC=CC=CC(=O)O)OO

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13-hydroperoxyoctadecadienoic acid

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

Names

  • Mycotoxin name: 13-hydroperoxyoctadecadienoic acid

  • First synonym: 13-hydroperoxyoctadecadienoic acid

  • Synonyms: 13-Hydroperoxyoctadecadienoic acid,Octadecadienoic acid, 13-hydroperoxy-,SCHEMBL1394382,28040-10-0

Identifiers / External links

Structure

  • Smiles: CCCCCC(CCCCCCCC=CC=CC(=O)O)OO

  • Isomeric smiles: CCCCCC(CCCCCCC/C=C/C=C/C(=O)O)OO

  • Inchi: InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h8,10,13,16-17,21H,2-7,9,11-12,14-15H2,1H3,(H,19,20)/b10-8+,16-13+

  • Inchikey: QEUHXYPYKZKYFW-ZQHUEGGHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H32O4

  • Molecular weight: 312.40

  • Monoisotopic mass: 312.2300595

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