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Mollicellin n

  • Formula: C21H18O8

  • Molecular weight: 398.40

  • Smiles: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C4C(=O)CC(OC4=C3O)(C)C)C)C=O)O

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Mollicellin n

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

Names

  • Mycotoxin name: Mollicellin n

  • First synonym: Mollicellin n

  • Synonyms: mollicellin N,UNII-0U2A24WM0U,0U2A24WM0U,CHEBI:68727,Mollicelline N,CHEMBL1080425,1179374-69-6,2H,11H-1-Benzopyrano(6,7-b)(1,4)benzodioxepin-7-carboxaldehyde, 3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-,Q27137147,UNII-B811E427JV component FMZRBSGCMFABIX-UHFFFAOYSA-N,8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3,4-dihydro-2H,11H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde

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Structure

  • Smiles: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C4C(=O)CC(OC4=C3O)(C)C)C)C=O)O

  • Isomeric smiles: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C4C(=O)CC(OC4=C3O)(C)C)C)C=O)O

  • Inchi: InChI=1S/C21H18O8/c1-8-5-11(23)10(7-22)17-13(8)20(26)28-19-15(25)18-14(9(2)16(19)27-17)12(24)6-21(3,4)29-18/h5,7,23,25H,6H2,1-4H3

  • Inchikey: FMZRBSGCMFABIX-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H18O8

  • Molecular weight: 398.40

  • Monoisotopic mass: 398.10016753

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