Monocillin III
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Formula: C18H20O6
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Molecular weight: 332.30
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Smiles: CC1CC2C(O2)CCC=CC(=O)CC3=C(C(=CC(=C3)O)O)C(=O)O1
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Type: Resorcyl lactone
Monocillin III
Names
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Mycotoxin name: Monocillin III
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First synonym: None
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Synonyms: Monocillin III,(4R,6R,8R,11E)-17,19-Dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione,(4R,6R,8R,11E)-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo(13.4.0.06,8)nonadeca-1(15),11,16,18-tetraene-2,13-dione,CHEMBL404204,CHEBI:221018,75207-11-3
Identifiers / External links
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CAS: 75207-11-3
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PubChem CID: 23305941
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ChemSpiderID: 4979976
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ChEMBL: CHEMBL404204
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Chemical Entities of Biological Interest (CHEBI): CHEBI:221018
Structure
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Smiles: CC1CC2C(O2)CCC=CC(=O)CC3=C(C(=CC(=C3)O)O)C(=O)O1
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Isomeric smiles: C[C@@H]1C[C@@H]2[C@H](O2)CC/C=C/C(=O)CC3=C(C(=CC(=C3)O)O)C(=O)O1
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Inchi: InChI=1S/C18H20O6/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/h2,4,8-10,15-16,20-21H,3,5-7H2,1H3/b4-2+/t10-,15-,16-/m1/s1
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Inchikey: XFALPAMSDFFXGY-XLFSOCHTSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H20O6
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Molecular weight: 332.30
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Monoisotopic mass: 332.12598835
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Fungi
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Fungi id Species