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Monocillin II

  • Formula: C18H20O4

  • Molecular weight: 300.30

  • Smiles: CC1CC=CCCC=CC(=O)CC2=C(C(=CC=C2)O)C(=O)O1

  • Type: Resorcyl lactone

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Monocillin II

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

Names

  • Mycotoxin name: Monocillin II

  • First synonym: None

  • Synonyms: Monocillin II,(4E,8E,11S)-15-hydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),4,8,15,17-pentaene-3,13-dione,(4S,6E,10E)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione,CHEMBL498851,1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 3,4,7,8-tetrahydro-16-hydroxy-3-methyl-, (3S)-

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Structure

  • Smiles: CC1CC=CCCC=CC(=O)CC2=C(C(=CC=C2)O)C(=O)O1

  • Isomeric smiles: C[C@H]1C/C=C/CC/C=C/C(=O)CC2=C(C(=CC=C2)O)C(=O)O1

  • Inchi: InChI=1S/C18H20O4/c1-13-8-5-3-2-4-6-10-15(19)12-14-9-7-11-16(20)17(14)18(21)22-13/h3,5-7,9-11,13,20H,2,4,8,12H2,1H3/b5-3+,10-6+/t13-/m0/s1

  • Inchikey: LSIFWWADIGESKN-UIWFPMPVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H20O4

  • Molecular weight: 300.30

  • Monoisotopic mass: 300.13615911

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