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SMTP 6

  • Formula: C34H40N2O6

  • Molecular weight: 572.70

  • Smiles: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)C(CC4=CNC5=CC=CC=C54)C(=O)O)O)O)C)C)C

  • Type: Pyranoisoindole

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SMTP 6

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Structural Information
Physico-chemical Properties
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Names

  • Mycotoxin name: SMTP 6

  • First synonym: None

  • Synonyms: SMTP-6,2-[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]-3-(1H-indol-3-yl)propanoic 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)-3-(1H-indol-3-yl)propanoate,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)-3-(1H-indol-3-yl)propanoic 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}-3-(1H-indol-3-yl)propanoate,SMTP 6,CHEBI:198519,221161-92-8

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Structure

  • Smiles: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)C(CC4=CNC5=CC=CC=C54)C(=O)O)O)O)C)C)C

  • Isomeric smiles: CC(=CCC/C(=C/CCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)C(CC4=CNC5=CC=CC=C54)C(=O)O)O)O)C)/C)C

  • Inchi: InChI=1S/C34H40N2O6/c1-20(2)9-7-10-21(3)11-8-14-34(4)30(38)17-25-29(37)16-24-26(31(25)42-34)19-36(32(24)39)28(33(40)41)15-22-18-35-27-13-6-5-12-23(22)27/h5-6,9,11-13,16,18,28,30,35,37-38H,7-8,10,14-15,17,19H2,1-4H3,(H,40,41)/b21-11+

  • Inchikey: CJZYCBIYGYFBTP-SRZZPIQSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H40N2O6

  • Molecular weight: 572.70

  • Monoisotopic mass: 572.288637

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