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Talauxin v

  • Formula: C34H31NO12

  • Molecular weight: 645.60

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

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Talauxin v

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Structural Information
Physico-chemical Properties
ADME
Toxicity
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Names

  • Mycotoxin name: Talauxin v

  • First synonym: None

  • Synonyms: Talauxin V,(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]-3-methylbutanoic 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)-3-methylbutanoic acid,CHEMBL4646823,CHEBI:225889

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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(C(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](C(C)C)C(=O)O)C5=O)OC)OC(=O)C)O

  • Inchi: InChI=1S/C34H31NO12/c1-11(2)25(31(42)43)35-9-15-19-20(30(35)41)16(37)8-13(4)22(19)34(45-6)24-27(40)18-12(3)7-17(38)21-23(18)33(10-46-32(21)44,28(34)26(15)39)29(24)47-14(5)36/h7-9,11,24-25,28-29,37-38H,10H2,1-6H3,(H,42,43)/t24-,25-,28+,29-,33-,34+/m0/s1

  • Inchikey: IIYZOTFURSVWBN-GXBIPTPMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H31NO12

  • Molecular weight: 645.60

  • Monoisotopic mass: 645.18462542

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