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Alternarian acid

  • Formula: C15H12O8

  • Molecular weight: 320.25

  • Smiles: CC1=C(C(=O)OC(=C1)C(=O)O)C2=C(C(=CC(=C2)OC)O)C(=O)O

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Alternarian acid

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

Names

  • Mycotoxin name: Alternarian acid

  • First synonym: Alternarian acid

  • Synonyms: alternarian acid,91868-93-8,3-(2-Carboxy-3-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-2H-pyran-6-carboxylic acid,Alternarian-acid,UNII-SM5RXD78FE,SM5RXD78FE,MEGxm0_000135,CHEMBL1081907,SCHEMBL16224899,ACon0_001033,ACon1_000958,DTXSID30635940,ZINC13312152,MCULE-5079899553,2H-Pyran-6-carboxylic acid, 3-(2-carboxy-3-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-,5-(2-Carboxy-3-hydroxy-5-methoxy-phenyl)-4-methyl-6-oxo-pyran-2-carboxylic acid

Identifiers / External links

Structure

  • Smiles: CC1=C(C(=O)OC(=C1)C(=O)O)C2=C(C(=CC(=C2)OC)O)C(=O)O

  • Isomeric smiles: CC1=C(C(=O)OC(=C1)C(=O)O)C2=C(C(=CC(=C2)OC)O)C(=O)O

  • Inchi: InChI=1S/C15H12O8/c1-6-3-10(13(17)18)23-15(21)11(6)8-4-7(22-2)5-9(16)12(8)14(19)20/h3-5,16H,1-2H3,(H,17,18)(H,19,20)

  • Inchikey: DTWGKAWUEOJXKI-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H12O8

  • Molecular weight: 320.25

  • Monoisotopic mass: 320.05321734

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