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Ustin

  • Formula: C19H15Cl3O5

  • Molecular weight: 429.70

  • Smiles: CC=C(C)C1=C(C(=C(C2=C1OC3=C(C(=C(C(=C3C(=O)O2)C)Cl)O)Cl)C)O)Cl

  • Type: Depsidone

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Ustin

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

Names

  • Mycotoxin name: Ustin

  • First synonym: Ustin-I, Nornidulin

  • Synonyms: NORNIDULIN,Ustin,33403-37-1,Nornidulin [MI],U3A9D130C9,UNII-U3A9D130C9,DTXSID901017594,1-[(Z)-but-2-en-2-yl]-2,8,10-trichloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one,11H-Dibenzo(b,E)(1,4)dioxepin-11-one, 2,4,7-trichloro-3,8-dihydroxy-1,9-dimethyl-6-(1-methyl-1-propen-1-yl)-,2,4,7-Trichloro-3,8-dihydroxy-1,9-dimethyl-6-(1-methyl-1-propenyl)-11H-dibenzo(b,E)(1,4)dioxepin-11-one,SCHEMBL16435159,DTXCID301475778,NCGC00380824-02,HY-119631,CS-0077175,Q27290636,2,4,7-trichloro-3,8-dihydroxy-1,9-dimethyl-6-(1-methyl-1-propen-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one,NCGC00380824-01!1-[(Z)-but-2-en-2-yl]-2,8,10-trichloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one

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Structure

  • Smiles: CC=C(C)C1=C(C(=C(C2=C1OC3=C(C(=C(C(=C3C(=O)O2)C)Cl)O)Cl)C)O)Cl

  • Isomeric smiles: C/C=C(/C)\C1=C(C(=C(C2=C1OC3=C(C(=C(C(=C3C(=O)O2)C)Cl)O)Cl)C)O)Cl

  • Inchi: InChI=1S/C19H15Cl3O5/c1-5-6(2)9-12(21)14(23)8(4)16-18(9)26-17-10(19(25)27-16)7(3)11(20)15(24)13(17)22/h5,23-24H,1-4H3/b6-5-

  • Inchikey: XEQDVQKKHOQZEP-WAYWQWQTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H15Cl3O5

  • Molecular weight: 429.70

  • Monoisotopic mass: 427.998507

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