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Mollicellin l

  • Formula: C22H20O7

  • Molecular weight: 396.40

  • Smiles: CC1=CC(=C(C2=C1C(=O)OC3=C(C(=C(C=C3O2)OC)C(=O)C=C(C)C)C)C=O)O

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Mollicellin l

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

Names

  • Mycotoxin name: Mollicellin l

  • First synonym: Mollicellin l

  • Synonyms: mollicellin L,Mollicelline L,UNII-UO480V9X2X,UO480V9X2X,CHEBI:68725,CHEMBL1077768,1179374-64-1,11H-Dibenzo(b,E)(1,4)dioxepin-4-carboxaldehyde, 3-hydroxy-7-methoxy-1,9-dimethyl-8-(3-methyl-1-oxo-2-buten-1-yl)-11-oxo-,Q27137145,UNII-B811E427JV component SEGGMMXRZJRNCN-UHFFFAOYSA-N,3-hydroxy-7-methoxy-1,9-dimethyl-8-(3-methylbut-2-enoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde,9-hydroxy-2-methoxy-4,7-dimethyl-3-(3-methylbut-2-enoyl)-6-oxo-benzo[b][1,4]benzodioxepine-10-carbaldehyde

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Structure

  • Smiles: CC1=CC(=C(C2=C1C(=O)OC3=C(C(=C(C=C3O2)OC)C(=O)C=C(C)C)C)C=O)O

  • Isomeric smiles: CC1=CC(=C(C2=C1C(=O)OC3=C(C(=C(C=C3O2)OC)C(=O)C=C(C)C)C)C=O)O

  • Inchi: InChI=1S/C22H20O7/c1-10(2)6-15(25)19-12(4)20-17(8-16(19)27-5)28-21-13(9-23)14(24)7-11(3)18(21)22(26)29-20/h6-9,24H,1-5H3

  • Inchikey: SEGGMMXRZJRNCN-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H20O7

  • Molecular weight: 396.40

  • Monoisotopic mass: 396.12090297

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