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Fischerin

  • Formula: C23H29NO7

  • Molecular weight: 431.50

  • Smiles: CC1C=CC2CCCCC2C1C(=O)C3=C(C(=CN(C3=O)O)C4(CCC(C5C4O5)O)O)O

  • Type: Pyridone

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Fischerin

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

Names

  • Mycotoxin name: Fischerin

  • First synonym: None

  • Synonyms: Fischerin,CHEBI:226665,3-[(1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1R,2S,5R,6R)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-1,4-dihydroxypyridin-2-one

Identifiers / External links

Structure

  • Smiles: CC1C=CC2CCCCC2C1C(=O)C3=C(C(=CN(C3=O)O)C4(CCC(C5C4O5)O)O)O

  • Isomeric smiles: C[C@H]1C=C[C@H]2CCCC[C@H]2[C@@H]1C(=O)C3=C(C(=CN(C3=O)O)[C@]4(CC[C@H]([C@@H]5[C@H]4O5)O)O)O

  • Inchi: InChI=1S/C23H29NO7/c1-11-6-7-12-4-2-3-5-13(12)16(11)19(27)17-18(26)14(10-24(30)22(17)28)23(29)9-8-15(25)20-21(23)31-20/h6-7,10-13,15-16,20-21,25-26,29-30H,2-5,8-9H2,1H3/t11-,12+,13+,15+,16+,20+,21+,23-/m0/s1

  • Inchikey: LNTGLCDRWWFPDI-PTMQYTLRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H29NO7

  • Molecular weight: 431.50

  • Monoisotopic mass: 431.19440226

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