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Xestodecalactone b

  • Formula: C14H16O6

  • Molecular weight: 280.27

  • Smiles: CC1CC(CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O)O

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Xestodecalactone b

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

  • Mycotoxin name: Xestodecalactone b

  • First synonym: Xestodecalactone b

  • Synonyms: Xestodecalactone B,CHEMBL478573,5,6,9,10,11,12-Hexahydro-1,3,10alpha-trihydroxy-8alpha-methyl-8H-7-oxabenzocyclodecene-6,12-dione

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Structure

  • Smiles: CC1CC(CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O)O

  • Isomeric smiles: C[C@@H]1C[C@@H](CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O)O

  • Inchi: InChI=1S/C14H16O6/c1-7-2-9(15)5-11(17)14-8(4-13(19)20-7)3-10(16)6-12(14)18/h3,6-7,9,15-16,18H,2,4-5H2,1H3/t7-,9+/m1/s1

  • Inchikey: OESLECARYLNMSC-APPZFPTMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C14H16O6

  • Molecular weight: 280.27

  • Monoisotopic mass: 280.09468823

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