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Phomacin c

  • Formula: C25H37NO4

  • Molecular weight: 415.60

  • Smiles: CC1C2C(NC(=O)C23C(C=C(CC(CC(C=CC3=O)O)CO)C)C=C1C)CC(C)C

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Phomacin c

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

Names

  • Mycotoxin name: Phomacin c

  • First synonym: Phomacin c

  • Synonyms: Phomacin C,(3S,3aR,4S,6aS,7E,10S,12S,13E,15aS)-12-hydroxy-10-(hydroxymethyl)-4,5,8-trimethyl-3-(2-methylpropyl)-3,3a,4,6a,9,10,11,12-octahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione,CHEBI:66748,Q27135372

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Structure

  • Smiles: CC1C2C(NC(=O)C23C(C=C(CC(CC(C=CC3=O)O)CO)C)C=C1C)CC(C)C

  • Isomeric smiles: C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(/C[C@@H](C[C@@H](/C=C/C3=O)O)CO)\C)C=C1C)CC(C)C

  • Inchi: InChI=1S/C25H37NO4/c1-14(2)8-21-23-17(5)16(4)11-19-10-15(3)9-18(13-27)12-20(28)6-7-22(29)25(19,23)24(30)26-21/h6-7,10-11,14,17-21,23,27-28H,8-9,12-13H2,1-5H3,(H,26,30)/b7-6+,15-10+/t17-,18+,19+,20-,21+,23+,25-/m1/s1

  • Inchikey: AQAFUDMWTUOKSI-USVVNQICSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H37NO4

  • Molecular weight: 415.60

  • Monoisotopic mass: 415.27225866

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