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Phomacin a

  • Formula: C25H37NO5

  • Molecular weight: 431.60

  • Smiles: CC1CC(=CC2C=C(C(C3C2(C(=O)NC3CC(C)C)OC(=O)C=CC(C1O)O)C)C)C

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Phomacin a

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

Names

  • Mycotoxin name: Phomacin a

  • First synonym: Phomacin a

  • Synonyms: Phomacin A,(3Z,5R,6S,7S,9E,10aS,13S,13aS,14S,16aR)-5,6-dihydroxy-7,9,12,13-tetramethyl-14-(2-methylpropyl)-6,7,8,10a,13,13a,14,15-octahydro-2H-oxacyclododecino[2,3-d]isoindole-2,16(5H)-dione,CHEBI:66746,Q27135370

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Structure

  • Smiles: CC1CC(=CC2C=C(C(C3C2(C(=O)NC3CC(C)C)OC(=O)C=CC(C1O)O)C)C)C

  • Isomeric smiles: C[C@H]1C/C(=C/[C@H]2C=C([C@H]([C@@H]3[C@]2(C(=O)N[C@H]3CC(C)C)OC(=O)/C=C\[C@H]([C@H]1O)O)C)C)/C

  • Inchi: InChI=1S/C25H37NO5/c1-13(2)9-19-22-17(6)15(4)12-18-11-14(3)10-16(5)23(29)20(27)7-8-21(28)31-25(18,22)24(30)26-19/h7-8,11-13,16-20,22-23,27,29H,9-10H2,1-6H3,(H,26,30)/b8-7-,14-11+/t16-,17+,18-,19-,20+,22-,23-,25+/m0/s1

  • Inchikey: CTCWWHNYPVOMQP-WXZOGCPCSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H37NO5

  • Molecular weight: 431.60

  • Monoisotopic mass: 431.26717328

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