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5-Carboxymellein

  • Formula: C11H10O5

  • Molecular weight: 222.19

  • Smiles: CC1CC2=C(C=CC(=C2C(=O)O1)O)C(=O)O

  • Type: Isocoumarin

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5-Carboxymellein

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

Names

  • Mycotoxin name: 5-Carboxymellein

  • First synonym: None

  • Synonyms: 5-Carboxymellein,69135-42-8,8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid,3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-5-carboxylic acid,AKOS040734502,8-Hydroxy-3-methyl-1-oxoisochromane-5-carboxylic acid,3,4-dihydro-8-hydroxy-3-methyl-1 h -2-benzopyran-1-one-5-carboxylic acid,NCGC00386094-01!8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid

Identifiers / External links

Structure

  • Smiles: CC1CC2=C(C=CC(=C2C(=O)O1)O)C(=O)O

  • Isomeric smiles: CC1CC2=C(C=CC(=C2C(=O)O1)O)C(=O)O

  • Inchi: InChI=1S/C11H10O5/c1-5-4-7-6(10(13)14)2-3-8(12)9(7)11(15)16-5/h2-3,5,12H,4H2,1H3,(H,13,14)

  • Inchikey: QRLBIKRXEQOMSF-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C11H10O5

  • Molecular weight: 222.19

  • Monoisotopic mass: 222.05282342

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