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Mollicellin a

  • Formula: C21H18O7

  • Molecular weight: 382.40

  • Smiles: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C4C(=O)CC(OC4=C3)(C)C)C)C=O)O

  • Type: Depsidone

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Mollicellin a

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

Names

  • Mycotoxin name: Mollicellin a

  • First synonym: Mollicellin a

  • Synonyms: Mollicellin A,68455-06-1,UNII-9MS425049B,9MS425049B,2H,11H-1-Benzopyrano(6,7-b)(1,4)benzodioxepin-7-carboxaldehyde, 3,4-dihydro-8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-,8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde,DTXSID60218568,CHEBI:172613,3,4-Dihydro-8-hydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-1-benzopyrano(6,7-b)(1,4)benzodioxepin-7-carboxaldehyde,Q27272754,UNII-B811E427JV component UGFXPOLXTFFCRX-UHFFFAOYSA-N,5-hydroxy-7,15,15,19-tetramethyl-9,17-dioxo-2,10,14-trioxatetracyclo[9.8.0.0^{3,8}.0^{13,18}]nonadeca-1(19),3(8),4,6,11,13(18)-hexaene-4-carbaldehyde

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Structure

  • Smiles: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C4C(=O)CC(OC4=C3)(C)C)C)C=O)O

  • Isomeric smiles: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C4C(=O)CC(OC4=C3)(C)C)C)C=O)O

  • Inchi: InChI=1S/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)26-15-6-14-17(10(2)18(15)27-19)13(24)7-21(3,4)28-14/h5-6,8,23H,7H2,1-4H3

  • Inchikey: UGFXPOLXTFFCRX-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H18O7

  • Molecular weight: 382.40

  • Monoisotopic mass: 382.10525291

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