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Deacetylisowortmin

  • Formula: C21H24O7

  • Molecular weight: 388.40

  • Smiles: CC=CC1CC2=C(CO1)C(=O)C(C(C2)OC(=O)C3=C(C=C(C=C3C)O)O)(C)O

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Deacetylisowortmin

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

Names

  • Mycotoxin name: Deacetylisowortmin

  • First synonym: None

  • Synonyms: Deacetylisowortmin

Identifiers / External links

Structure

  • Smiles: CC=CC1CC2=C(CO1)C(=O)C(C(C2)OC(=O)C3=C(C=C(C=C3C)O)O)(C)O

  • Isomeric smiles: C/C=C/[C@@H]1CC2=C(CO1)C(=O)[C@]([C@@H](C2)OC(=O)C3=C(C=C(C=C3C)O)O)(C)O

  • Inchi: InChI=1S/C21H24O7/c1-4-5-14-7-12-8-17(21(3,26)19(24)15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-6,9,14,17,22-23,26H,7-8,10H2,1-3H3/b5-4+/t14-,17-,21-/m1/s1

  • Inchikey: WYBLHHQOVMAUNE-FSWYFZHTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H24O7

  • Molecular weight: 388.40

  • Monoisotopic mass: 388.1522031

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