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Pyranonigrin b

  • Formula: C11H11NO6

  • Molecular weight: 253.21

  • Smiles: CC=CC1=C(C(=O)C2=C(O1)C(=C(N2O)O)OC)O

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Pyranonigrin b

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

  • Mycotoxin name: Pyranonigrin b

  • First synonym: Pyranonigrin b

  • Synonyms: Pyranonigrin B,CHEMBL463362,773855-69-9

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Structure

  • Smiles: CC=CC1=C(C(=O)C2=C(O1)C(=C(N2O)O)OC)O

  • Isomeric smiles: C/C=C/C1=C(C(=O)C2=C(O1)C(=C(N2O)O)OC)O

  • Inchi: InChI=1S/C11H11NO6/c1-3-4-5-7(13)8(14)6-9(18-5)10(17-2)11(15)12(6)16/h3-4,13,15-16H,1-2H3/b4-3+

  • Inchikey: VIQIWSBCQXGDOC-ONEGZZNKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C11H11NO6

  • Molecular weight: 253.21

  • Monoisotopic mass: 253.05863707

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