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Cochliobolic acid

  • Formula: C25H30O6

  • Molecular weight: 426.50

  • Smiles: CCC(C)C=CC(=O)C(=O)C=CC=CC=CC=CC=CC=CC1CC(C(O1)C(=O)O)O

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Cochliobolic acid

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

Names

  • Mycotoxin name: Cochliobolic acid

  • First synonym: Cochliobolic acid

  • Synonyms: Cochliobolic acid,CHEMBL464721,185846-15-5,BDBM50292386,(2R,3R,5S)-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaenyl]oxolane-2-carboxylic acid,2-Furancarboxylic acid, tetrahydro-3-hydroxy-5-(17-methyl-13,14-dioxo-1,3,5,7,9,11,15-nonadecaheptaenyl)-, (2alpha,3beta,5alpha(1E,3E,5E,7E,9E,11E,15E))-(partial)-

Identifiers / External links

Structure

  • Smiles: CCC(C)C=CC(=O)C(=O)C=CC=CC=CC=CC=CC=CC1CC(C(O1)C(=O)O)O

  • Isomeric smiles: CCC(C)/C=C/C(=O)C(=O)/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]1C[C@H]([C@@H](O1)C(=O)O)O

  • Inchi: InChI=1S/C25H30O6/c1-3-19(2)16-17-22(27)21(26)15-13-11-9-7-5-4-6-8-10-12-14-20-18-23(28)24(31-20)25(29)30/h4-17,19-20,23-24,28H,3,18H2,1-2H3,(H,29,30)/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+,17-16+/t19?,20-,23-,24-/m1/s1

  • Inchikey: UWFRQOWLUPERFN-WUSQRGMKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H30O6

  • Molecular weight: 426.50

  • Monoisotopic mass: 426.20423867

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