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SMTP 3

  • Formula: C26H35NO7

  • Molecular weight: 473.60

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

  • Type: Pyranoisoindole

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SMTP 3

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

  • Mycotoxin name: SMTP 3

  • First synonym: None

  • Synonyms: SMTP-3,2-[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-hydroxypropanoic 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-hydroxypropanoate,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-hydroxypropanoic 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-hydroxypropanoate,SMTP 3,CHEBI:205830,221161-84-8

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Structure

  • Smiles: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)C(CO)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(CO)C(=O)O)O)O)C)/C)C

  • Inchi: InChI=1S/C26H35NO7/c1-15(2)7-5-8-16(3)9-6-10-26(4)22(30)12-18-21(29)11-17-19(23(18)34-26)13-27(24(17)31)20(14-28)25(32)33/h7,9,11,20,22,28-30H,5-6,8,10,12-14H2,1-4H3,(H,32,33)/b16-9+

  • Inchikey: BWPFIDWJPVFHKS-CXUHLZMHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H35NO7

  • Molecular weight: 473.60

  • Monoisotopic mass: 473.24135246

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