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Chlorflavonin

  • Formula: C18H15ClO7

  • Molecular weight: 378.80

  • Smiles: COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=C(C(=CC=C3)Cl)O)OC)OC

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Chlorflavonin

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

  • Mycotoxin name: Chlorflavonin

  • First synonym: Chlorflavonin

  • Synonyms: Chlorflavonin,23363-64-6,3'-Chloro-2',5-dihydroxy-3,7,8-trimethoxyflavone,Chloroflavonin,CHEBI:3613,SCHEMBL3803000,Flavone, 3'-chloro-2',5-dihydroxy-3,7,8-trimethoxy-,DTXSID80177921,LMPK12113075,AKOS017096639,4H-1-Benzopyran-4-one, 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxy-,C10027,3'-chloro-5,2'-dihydroxy-3,7,8-trimethoxyflavone,Q27106149,2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxy-4H-1-benzopyran-4-one,2-(3-Chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxy-4H-chromen-4-one #

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Structure

  • Smiles: COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=C(C(=CC=C3)Cl)O)OC)OC

  • Isomeric smiles: COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=C(C(=CC=C3)Cl)O)OC)OC

  • Inchi: InChI=1S/C18H15ClO7/c1-23-11-7-10(20)12-14(22)18(25-3)15(26-17(12)16(11)24-2)8-5-4-6-9(19)13(8)21/h4-7,20-21H,1-3H3

  • Inchikey: JLSQXYITDXJTKL-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H15ClO7

  • Molecular weight: 378.80

  • Monoisotopic mass: 378.0506305

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