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Mollicellin m

  • Formula: C21H17ClO7

  • Molecular weight: 416.80

  • Smiles: CC1=C2C(=O)CC(OC2=CC3=C1OC(=O)C4=C(C(=C(C(=C4O3)C=O)O)Cl)C)(C)C

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Mollicellin m

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

Names

  • Mycotoxin name: Mollicellin m

  • First synonym: Mollicellin m

  • Synonyms: mollicellin M,Mollicelline M,UNII-XOG346ACOO,XOG346ACOO,CHEBI:68726,CHEMBL1077769,1179374-66-3,2H,7H-1-Benzopyrano(7,6-b)(1,4)benzodioxepin-11-carboxaldehyde, 9-chloro-3,4-dihydro-10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-,Q27137146,UNII-B811E427JV component LBLDXSZDCOFIAT-UHFFFAOYSA-N,9-chloro-10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine-11-carbaldehyde,9-chloro-10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3H-chromeno[7,6-b][1,4]benzodioxepine-11-carbaldehyde

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Structure

  • Smiles: CC1=C2C(=O)CC(OC2=CC3=C1OC(=O)C4=C(C(=C(C(=C4O3)C=O)O)Cl)C)(C)C

  • Isomeric smiles: CC1=C2C(=O)CC(OC2=CC3=C1OC(=O)C4=C(C(=C(C(=C4O3)C=O)O)Cl)C)(C)C

  • Inchi: InChI=1S/C21H17ClO7/c1-8-15-19(10(7-23)17(25)16(8)22)27-13-5-12-14(9(2)18(13)28-20(15)26)11(24)6-21(3,4)29-12/h5,7,25H,6H2,1-4H3

  • Inchikey: LBLDXSZDCOFIAT-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H17ClO7

  • Molecular weight: 416.80

  • Monoisotopic mass: 416.0662806

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