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Smtp 6d

  • 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

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Smtp 6d

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

  • Mycotoxin name: Smtp 6d

  • First synonym: Smtp-6d

  • Synonyms: SMTP-6D

Identifiers / External links

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/CC[C@@]1([C@@H](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+/t28?,30-,34-/m1/s1

  • Inchikey: CJZYCBIYGYFBTP-LGTQIZRRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H40N2O6

  • Molecular weight: 572.70

  • Monoisotopic mass: 572.288637

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