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Alpha,beta-dehydrocurvularin

  • Formula: C16H18O5

  • Molecular weight: 290.31

  • Smiles: CC1CCCC=CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O

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Alpha,beta-dehydrocurvularin

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

Names

  • Mycotoxin name: Alpha,beta-dehydrocurvularin

  • First synonym: Alpha,beta-dehydrocurvularin

  • Synonyms: alpha,beta-Dehydrocurvularin,4,5,6,7-Tetrahydro-11,13-dihydroxy-4-methyl-2H-3- benzoxacyclododecin-2,10-(1H)-dione,(9E)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione,10, 11-Dehydrocurvularin,MLS000876814,CHEMBL482050,MEGxm0_000082,ACon0_000612,ACon1_000724,4,5,6,7-Tetrahydro-11,13-dihydroxy-4-methyl-2H-3-benzoxacyclododecin-2,10-(1H)-dione,CHEBI:181240,1095588-70-7,MFCD08274556,MCULE-3981096771,NCGC00380665-01,BD162702,SMR000440573,BRD-A61186587-001-01-9,NCGC00380665-01_C16H18O5_(8E)-11,13-Dihydroxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione

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Structure

  • Smiles: CC1CCCC=CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O

  • Isomeric smiles: CC1CCC/C=C/C(=O)C2=C(CC(=O)O1)C=C(C=C2O)O

  • Inchi: InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/b6-4+

  • Inchikey: AVIRMQMUBGNCKS-GQCTYLIASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H18O5

  • Molecular weight: 290.31

  • Monoisotopic mass: 290.11542367

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