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Monocillin I

  • Formula: C18H18O6

  • Molecular weight: 330.30

  • Smiles: CC1CC2C(O2)C=CC=CC(=O)CC3=C(C(=CC(=C3)O)O)C(=O)O1

  • Type: Resorcyl lactone

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Monocillin I

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

Names

  • Mycotoxin name: Monocillin I

  • First synonym: None

  • Synonyms: Monocillin I,6H-Oxireno(e)(2)benzoxacyclotetradecin-6,12(7H)-dione,1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-, (1aR,2Z,4E,14R,15aR)-,75207-13-5,MLS004257395,CHEMBL215853,(4R,6R,8R,9Z,11E)-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo(13.4.0.06,8)nonadeca-1(15),9,11,16,18-pentaene-2,13-dione,(4R,6R,8R,9Z,11E)-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione,SMR003082525,6-(7,8-Epoxy-10-hydroxy-2-oxo-3,5-undecadienyl)-beta-resorcylic acid mu-lactone

Identifiers / External links

Structure

  • Smiles: CC1CC2C(O2)C=CC=CC(=O)CC3=C(C(=CC(=C3)O)O)C(=O)O1

  • Isomeric smiles: C[C@@H]1C[C@@H]2[C@H](O2)/C=C\C=C\C(=O)CC3=C(C(=CC(=C3)O)O)C(=O)O1

  • Inchi: InChI=1S/C18H18O6/c1-10-6-16-15(24-16)5-3-2-4-12(19)7-11-8-13(20)9-14(21)17(11)18(22)23-10/h2-5,8-10,15-16,20-21H,6-7H2,1H3/b4-2+,5-3-/t10-,15-,16-/m1/s1

  • Inchikey: XTUZVEOWUSGCSV-HLZLSLRQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H18O6

  • Molecular weight: 330.30

  • Monoisotopic mass: 330.11033829

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Fungi

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