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Neoplaether

  • Formula: C18H19NO7

  • Molecular weight: 361.30

  • Smiles: CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)N)OC

  • Type: Diarylether

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Neoplaether

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

Names

  • Mycotoxin name: Neoplaether

  • First synonym: None

  • Synonyms: Neoplaether,methyl 2-(2-carbamoyl-3-methoxy-5-methylphenoxy)-5-hydroxy-3-methoxybenzoate,2-(4-Hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy)-6-methoxy-4-methylbenzene-1-carboximidate,2-[4-Hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-6-methoxy-4-methylbenzene-1-carboximidate,CHEBI:215075,methyl 2-(2-carbamoyl-3-methoxy-5-methyl-phenoxy)-5-hydroxy-3-methoxy-benzoate,Benzoic acid, 2-[2-(aminocarbonyl)-3-methoxy-5-methylphenoxy]-5-hydroxy-3-methoxy-, methyl ester

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Structure

  • Smiles: CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)N)OC

  • Isomeric smiles: CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)N)OC

  • Inchi: InChI=1S/C18H19NO7/c1-9-5-12(23-2)15(17(19)21)13(6-9)26-16-11(18(22)25-4)7-10(20)8-14(16)24-3/h5-8,20H,1-4H3,(H2,19,21)

  • Inchikey: BUADLMMBJTVNFS-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H19NO7

  • Molecular weight: 361.30

  • Monoisotopic mass: 361.11615195

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Fungi

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