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Militarinone d

  • Formula: C26H31NO4

  • Molecular weight: 421.50

  • Smiles: CCC(C)CC(C)C=C(C)C=CC=CC(=O)C1=C(C(=CNC1=O)C2=CC=C(C=C2)O)O

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Militarinone d

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

Names

  • Mycotoxin name: Militarinone d

  • First synonym: Militarinone d

  • Synonyms: Militarinone D,CHEMBL476496,CHEBI:31853,C12332,AC1LCTS7,Q27114698,4-Hydroxy-5-(4-hydroxyphenyl)-3-(6,8,10-trimethyldodeca-2,4,6-trienoyl)-1H-pyridin-2-one,4-Hydroxy-5-(4-hydroxy-phenyl)-3-(6,8,10-trimethyl-dodeca-2,4,6-trienoyl)-1H-pyridin-2-one,4-hydroxy-5-(4-hydroxyphenyl)-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl]-1H-pyridin-2-one,rel-4-hydroxy-5-(4-hydroxyphenyl)-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl]pyridin-2(1H)-one

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Structure

  • Smiles: CCC(C)CC(C)C=C(C)C=CC=CC(=O)C1=C(C(=CNC1=O)C2=CC=C(C=C2)O)O

  • Isomeric smiles: CC[C@@H](C)C[C@@H](C)/C=C(\C)/C=C/C=C/C(=O)C1=C(C(=CNC1=O)C2=CC=C(C=C2)O)O

  • Inchi: InChI=1S/C26H31NO4/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-23(29)24-25(30)22(16-27-26(24)31)20-10-12-21(28)13-11-20/h6-13,15-17,19,28H,5,14H2,1-4H3,(H2,27,30,31)/b8-6+,9-7+,18-15+/t17-,19-/m1/s1

  • Inchikey: GBZJQQUISHXMFL-YNFQZBBQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H31NO4

  • Molecular weight: 421.50

  • Monoisotopic mass: 421.22530847

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