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5-Chloro-6-methoxymellein

  • Formula: C11H11ClO4

  • Molecular weight: 242.65

  • Smiles: CC1CC2=C(C(=CC(=C2Cl)OC)O)C(=O)O1

  • Type: Isocoumarin

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5-Chloro-6-methoxymellein

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

Names

  • Mycotoxin name: 5-Chloro-6-methoxymellein

  • First synonym: None

  • Synonyms: 5-Chloro-6-methoxymellein,19314-93-3,5-chloro-3,4-dihydro-8-hydroxy-6-methoxy-3-methylisocoumarin,AKOS040735459,NCGC00385961-01,5-chloro-3,4-dihydro-8-hydroxy-6-methoxy-3-methyl-isocoumarin,NCGC00385961-01_C11H11ClO4_1H-2-Benzopyran-1-one, 5-chloro-3,4-dihydro-8-hydroxy-6-methoxy-3-methyl-

Identifiers / External links

Structure

  • Smiles: CC1CC2=C(C(=CC(=C2Cl)OC)O)C(=O)O1

  • Isomeric smiles: CC1CC2=C(C(=CC(=C2Cl)OC)O)C(=O)O1

  • Inchi: InChI=1S/C11H11ClO4/c1-5-3-6-9(11(14)16-5)7(13)4-8(15-2)10(6)12/h4-5,13H,3H2,1-2H3

  • Inchikey: WLUQQWRUOSZKGN-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C11H11ClO4

  • Molecular weight: 242.65

  • Monoisotopic mass: 242.0345865

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Fungi

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