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Patulolide C

  • Formula: C12H20O3

  • Molecular weight: 212.28

  • Smiles: CC1CCCCCCC(C=CC(=O)O1)O

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Patulolide C

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

  • Mycotoxin name: Patulolide C

  • First synonym: None

  • Synonyms: Patulolide C,Epipatulolide C,103654-47-3,(3Z,5S,12R)-5-hydroxy-12-methyl-1-oxacyclododec-3-en-2-one,Oxacyclododec-3-en-2-one, 5-hydroxy-12-methyl-, (5S-(3E,5R*,12S*))-,4S-hydroxy-2E-dodecen-11R-olide

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Structure

  • Smiles: CC1CCCCCCC(C=CC(=O)O1)O

  • Isomeric smiles: C[C@@H]1CCCCCC[C@@H](/C=C\C(=O)O1)O

  • Inchi: InChI=1S/C12H20O3/c1-10-6-4-2-3-5-7-11(13)8-9-12(14)15-10/h8-11,13H,2-7H2,1H3/b9-8-/t10-,11+/m1/s1

  • Inchikey: KANOICQRSIXTJU-XJMUJKMXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C12H20O3

  • Molecular weight: 212.28

  • Monoisotopic mass: 212.1412445

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