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Talauxin l

  • Formula: C35H33NO12

  • Molecular weight: 659.60

  • Smiles: CC1=CC(=C2C3=C1C(=O)C4C(C3(COC2=O)C5C4(C6=C7C(=CN(C(=O)C7=C(C=C6C)O)C(CC(C)C)C(=O)O)C5=O)OC)OC(=O)C)O

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Talauxin l

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Structural Information
Physico-chemical Properties
ADME
Toxicity
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Names

  • Mycotoxin name: Talauxin l

  • First synonym: None

  • Synonyms: Talauxin L,(2S)-2-[(1R,2R,13S,14S,24S)-24-acetyloxy-9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-22-oxa-6-azaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaen-6-yl]-4-methylpentanoic acid,(2S)-2-((1R,2R,13S,14S,24S)-24-acetyloxy-9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-22-oxa-6-azaheptacyclo(12.9.1.11,16.14,8.02,13.012,26.020,25)hexacosa-4,8,10,12(26),16(25),17,19-heptaen-6-yl)-4-methylpentanoic acid,CHEMBL4642451,CHEBI:225893

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Structure

  • Smiles: CC1=CC(=C2C3=C1C(=O)C4C(C3(COC2=O)C5C4(C6=C7C(=CN(C(=O)C7=C(C=C6C)O)C(CC(C)C)C(=O)O)C5=O)OC)OC(=O)C)O

  • Isomeric smiles: CC1=CC(=C2C3=C1C(=O)[C@H]4[C@@H]([C@]3(COC2=O)[C@@H]5[C@]4(C6=C7C(=CN(C(=O)C7=C(C=C6C)O)[C@@H](CC(C)C)C(=O)O)C5=O)OC)OC(=O)C)O

  • Inchi: InChI=1S/C35H33NO12/c1-12(2)7-17(32(43)44)36-10-16-21-22(31(36)42)18(38)9-14(4)24(21)35(46-6)26-28(41)20-13(3)8-19(39)23-25(20)34(11-47-33(23)45,29(35)27(16)40)30(26)48-15(5)37/h8-10,12,17,26,29-30,38-39H,7,11H2,1-6H3,(H,43,44)/t17-,26-,29+,30-,34-,35+/m0/s1

  • Inchikey: LPYZNRUFCNKPBN-FYYGKSKRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C35H33NO12

  • Molecular weight: 659.60

  • Monoisotopic mass: 659.20027549

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