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Dicitrinin a

  • Formula: C23H24O5

  • Molecular weight: 380.40

  • Smiles: CC1C(OC2=C3C(=C4C(=C(C3=O)C)C(C(O4)C)C)OC5=C2C1=C(C(=C5)O)C)C

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Dicitrinin a

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

  • Mycotoxin name: Dicitrinin a

  • First synonym: None

  • Synonyms:

Identifiers / External links

Structure

  • Smiles: CC1C(OC2=C3C(=C4C(=C(C3=O)C)C(C(O4)C)C)OC5=C2C1=C(C(=C5)O)C)C

  • Isomeric smiles: C[C@@H]1[C@H](OC2=C3C(=C4C(=C(C3=O)C)[C@@H]([C@H](O4)C)C)OC5=C2C1=C(C(=C5)O)C)C

  • Inchi: InChI=1S/C23H24O5/c1-8-12(5)26-21-18-15(7-14(24)10(3)16(8)18)28-23-19(21)20(25)11(4)17-9(2)13(6)27-22(17)23/h7-9,12-13,24H,1-6H3/t8-,9-,12-,13-/m1/s1

  • Inchikey: AEDOFAHIGZOUJC-NRMKKVEVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H24O5

  • Molecular weight: 380.40

  • Monoisotopic mass: 380.16237386

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