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Sclerotinin b

  • Formula: C12H14O5

  • Molecular weight: 238.24

  • Smiles: CC1=C2CC(OC(=O)C2=C(C(=C1O)C)O)(C)O

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Sclerotinin b

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

Names

  • Mycotoxin name: Sclerotinin b

  • First synonym: Sclerotinin b

  • Synonyms: sclerotinin B,27678-57-5,CHEMBL510199,BS-1448,3,6,8-trihydroxy-3,5,7-trimethyl-4H-isochromen-1-one,3,4-di-hydro 3,5,7-trimethyl-3,6,8-trihydroxy isocoumarin

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Structure

  • Smiles: CC1=C2CC(OC(=O)C2=C(C(=C1O)C)O)(C)O

  • Isomeric smiles: CC1=C2CC(OC(=O)C2=C(C(=C1O)C)O)(C)O

  • Inchi: InChI=1S/C12H14O5/c1-5-7-4-12(3,16)17-11(15)8(7)10(14)6(2)9(5)13/h13-14,16H,4H2,1-3H3

  • Inchikey: GWCJDGBOQAPHGT-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C12H14O5

  • Molecular weight: 238.24

  • Monoisotopic mass: 238.08412354

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