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Talauxin e

  • Formula: C34H29NO14

  • Molecular weight: 675.60

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

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Talauxin e

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Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Talauxin e

  • First synonym: None

  • Synonyms: Talauxin E,(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]pentanedioic 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)pentanedioic acid,CHEMBL4641836,CHEBI:225879

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

  • Inchi: InChI=1S/C34H29NO14/c1-11-7-17(38)22-24-19(11)27(42)25-29(49-13(3)36)33(24,10-48-32(22)46)28-26(41)14-9-35(15(31(44)45)5-6-18(39)40)30(43)21-16(37)8-12(2)23(20(14)21)34(25,28)47-4/h7-9,15,25,28-29,37-38H,5-6,10H2,1-4H3,(H,39,40)(H,44,45)/t15-,25-,28+,29-,33-,34+/m0/s1

  • Inchikey: XOFZNZUNQSMXDG-LGUJPJRRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H29NO14

  • Molecular weight: 675.60

  • Monoisotopic mass: 675.1588046

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