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Zizanin A

  • Formula: C25H42O3

  • Molecular weight: 390.60

  • Smiles: CC(C)CCCC(C)C1CCC2(C1CCC(C3C(C2)C(CC3=O)(C)O)C=O)C

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Zizanin A

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

  • Mycotoxin name: Zizanin A

  • First synonym: None

  • Synonyms: Zizanin-A,CHEBI:221000

Identifiers / External links

Structure

  • Smiles: CC(C)CCCC(C)C1CCC2(C1CCC(C3C(C2)C(CC3=O)(C)O)C=O)C

  • Isomeric smiles: C[C@@H](CCCC(C)C)[C@H]1CC[C@]2([C@H]1CC[C@@H]([C@@H]3[C@H](C2)[C@](CC3=O)(C)O)C=O)C

  • Inchi: InChI=1S/C25H42O3/c1-16(2)7-6-8-17(3)19-11-12-24(4)13-21-23(22(27)14-25(21,5)28)18(15-26)9-10-20(19)24/h15-21,23,28H,6-14H2,1-5H3/t17-,18+,19+,20-,21-,23+,24+,25+/m0/s1

  • Inchikey: SZNMKILGCOBKQE-JQBBPGMNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H42O3

  • Molecular weight: 390.60

  • Monoisotopic mass: 390.3133952

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