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BMS 192548

  • Formula: C21H18O9

  • Molecular weight: 414.40

  • Smiles: CC(=O)C1=C(C2(C(=O)C3=C(C4=C(C=C(C=C4C=C3CC2(CC1=O)O)OC)O)O)O)O

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BMS 192548

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

  • Mycotoxin name: BMS 192548

  • First synonym: None

  • Synonyms: BMS 192548

Identifiers / External links

Structure

  • Smiles: CC(=O)C1=C(C2(C(=O)C3=C(C4=C(C=C(C=C4C=C3CC2(CC1=O)O)OC)O)O)O)O

  • Isomeric smiles: CC(=O)C1=C([C@]2(C(=O)C3=C(C4=C(C=C(C=C4C=C3C[C@]2(CC1=O)O)OC)O)O)O)O

  • Inchi: InChI=1S/C21H18O9/c1-8(22)14-13(24)7-20(28)6-10-3-9-4-11(30-2)5-12(23)15(9)17(25)16(10)19(27)21(20,29)18(14)26/h3-5,23,25-26,28-29H,6-7H2,1-2H3/t20-,21-/m1/s1

  • Inchikey: GEIAHRUFSQGALU-NHCUHLMSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H18O9

  • Molecular weight: 414.40

  • Monoisotopic mass: 414.09508215

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