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Smtp 7d

  • Formula: C51H68N2O10

  • Molecular weight: 869.10

  • Smiles: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)CCCC(C(=O)O)N4CC5=C6C(=C(C=C5C4=O)O)CC(C(O6)(C)CCC=C(C)CCC=C(C)C)O)O)O)C)C)C

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Smtp 7d

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Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Smtp 7d

  • First synonym: Smtp-7d

  • Synonyms: SMTP-7D

Identifiers / External links

Structure

  • Smiles: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)CCCC(C(=O)O)N4CC5=C6C(=C(C=C5C4=O)O)CC(C(O6)(C)CCC=C(C)CCC=C(C)C)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)CCC[C@H](C(=O)O)N4CC5=C6C(=C(C=C5C4=O)O)C[C@H]([C@@](O6)(C)CC/C=C(\C)/CCC=C(C)C)O)O)O)C)/C)C

  • Inchi: InChI=1S/C51H68N2O10/c1-30(2)14-9-16-32(5)18-11-21-50(7)43(56)26-36-41(54)24-34-38(45(36)62-50)28-52(47(34)58)23-13-20-40(49(60)61)53-29-39-35(48(53)59)25-42(55)37-27-44(57)51(8,63-46(37)39)22-12-19-33(6)17-10-15-31(3)4/h14-15,18-19,24-25,40,43-44,54-57H,9-13,16-17,20-23,26-29H2,1-8H3,(H,60,61)/b32-18+,33-19+/t40-,43-,44-,50-,51-/m1/s1

  • Inchikey: CRNDCHORWGDFGR-VXZLMINMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C51H68N2O10

  • Molecular weight: 869.10

  • Monoisotopic mass: 868.48739637

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