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SMTP 5

  • Formula: C29H41NO6

  • Molecular weight: 499.60

  • Smiles: CC(C)CC(C(=O)O)N1CC2=C3C(=C(C=C2C1=O)O)CC(C(O3)(C)CCC=C(C)CCC=C(C)C)O

  • Type: Pyranoisoindole

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SMTP 5

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

  • Mycotoxin name: SMTP 5

  • First synonym: None

  • Synonyms: SMTP-5,2-[2-[(3E)-4,8-Dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-methylpentanoic acid,2-(2-((3E)-4,8-dimethylnona-3,7-dien-1-yl)-3,5-dihydroxy-2-methyl-7-oxo-2H,3H,4H,7H,8H,9H-pyrano(2,3-e)isoindol-8-yl)-4-methylpentanoate,2-(2-((3E)-4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano(2,3-e)isoindol-8-yl)-4-methylpentanoic acid,2-{2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-2H,3H,4H,7H,8H,9H-pyrano[2,3-e]isoindol-8-yl}-4-methylpentanoate,SMTP 5,CHEBI:203910,221161-89-3

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Structure

  • Smiles: CC(C)CC(C(=O)O)N1CC2=C3C(=C(C=C2C1=O)O)CC(C(O3)(C)CCC=C(C)CCC=C(C)C)O

  • Isomeric smiles: CC(C)CC(C(=O)O)N1CC2=C3C(=C(C=C2C1=O)O)CC(C(O3)(C)CC/C=C(\C)/CCC=C(C)C)O

  • Inchi: InChI=1S/C29H41NO6/c1-17(2)9-7-10-19(5)11-8-12-29(6)25(32)15-21-24(31)14-20-22(26(21)36-29)16-30(27(20)33)23(28(34)35)13-18(3)4/h9,11,14,18,23,25,31-32H,7-8,10,12-13,15-16H2,1-6H3,(H,34,35)/b19-11+

  • Inchikey: SFWATHVUVKCXSG-YBFXNURJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H41NO6

  • Molecular weight: 499.60

  • Monoisotopic mass: 499.29338803

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