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Mollicellin b

  • Formula: C21H18O7

  • Molecular weight: 382.40

  • Smiles: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C=C4C(=C3C)C(=O)CC(O4)(C)C)C=O)O

  • Type: Depsidone

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Mollicellin b

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

Names

  • Mycotoxin name: Mollicellin b

  • First synonym: Mollicellin b

  • Synonyms: mollicellin B,Mollicelline B,UNII-08J2CG9MUA,68455-07-2,08J2CG9MUA,CHEBI:68801,2H,7H-1-Benzopyrano(7,6-b)(1,4)benzodioxepin-11-carboxaldehyde, 3,4-dihydro-10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-,10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3H-chromeno[7,6-b][1,4]benzodioxepine-11-carbaldehyde,CHEMBL1080976,DTXSID20218569,3,4-Dihydro-10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-2H,7H-1-benzopyrano(7,6-b)(1,4)benzodioxepin-11-carboxaldehyde,Q27137186,UNII-B811E427JV component OMOOHFQAZTVBPK-UHFFFAOYSA-N,10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine-11-carbaldehyde,5-hydroxy-7,12,16,16-tetramethyl-9,14-dioxo-2,10,17-trioxatetracyclo[9.8.0.0^{3,8}.0^{13,18}]nonadeca-1(11),3,5,7,12,18-hexaene-4-carbaldehyde

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Structure

  • Smiles: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C=C4C(=C3C)C(=O)CC(O4)(C)C)C=O)O

  • Isomeric smiles: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C=C4C(=C3C)C(=O)CC(O4)(C)C)C=O)O

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

  • Inchikey: OMOOHFQAZTVBPK-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H18O7

  • Molecular weight: 382.40

  • Monoisotopic mass: 382.10525291

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