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Pochonin C

  • Formula: C18H18Cl2O6

  • Molecular weight: 401.20

  • Smiles: CC1CC(C(C=CC=CC(=O)CC2=C(C(=CC(=C2Cl)O)O)C(=O)O1)Cl)O

  • Type: Resorcyl lactone

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Pochonin C

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

Names

  • Mycotoxin name: Pochonin C

  • First synonym: None

  • Synonyms: Pochonin C,(4S,6S,8Z,10E)-7,15-dichloro-6,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),8,10,15,17-pentaene-2,12-dione,(4E,6Z,9S,11S)-8,18-dichloro-9,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),4,6,15,17-pentaene-3,13-dione,(4E,6Z,9S,11S)-8,18-dichloro-9,15,17-trihydroxy-11-methyl-12-oxabicyclo(12.4.0)octadeca-1(14),4,6,15,17-pentaene-3,13-dione,(4S,6S,8Z,10E)-7,15-dichloro-6,16,18-trihydroxy-4-methyl-3-oxabicyclo(12.4.0)octadeca-1(14),8,10,15,17-pentaene-2,12-dione,SCHEMBL869166,CHEMBL459482,CHEBI:227264,184537-19-7,1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 6,13-dichloro-3,4,5,6-tetrahydro-5,14,16-trihydroxy-3-methyl-, (3S,5S)-

Identifiers / External links

Structure

  • Smiles: CC1CC(C(C=CC=CC(=O)CC2=C(C(=CC(=C2Cl)O)O)C(=O)O1)Cl)O

  • Isomeric smiles: C[C@H]1C[C@@H](C(/C=C\C=C\C(=O)CC2=C(C(=CC(=C2Cl)O)O)C(=O)O1)Cl)O

  • Inchi: InChI=1S/C18H18Cl2O6/c1-9-6-13(22)12(19)5-3-2-4-10(21)7-11-16(18(25)26-9)14(23)8-15(24)17(11)20/h2-5,8-9,12-13,22-24H,6-7H2,1H3/b4-2+,5-3-/t9-,12?,13-/m0/s1

  • Inchikey: MQEXBOUTQRMRFJ-NOEJZYACSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H18Cl2O6

  • Molecular weight: 401.20

  • Monoisotopic mass: 400.0480437

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