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trachyspic acid

  • Formula: C20H28O9

  • Molecular weight: 412.40

  • Smiles: CCCCCCCCCC1=COC2(C1=O)CC(C(O2)(CC(=O)O)C(=O)O)C(=O)O

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trachyspic acid

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

  • Mycotoxin name: trachyspic acid

  • First synonym: (+)-trachyspic acid

  • Synonyms: (+)-Trachyspic acid

Identifiers / External links

Structure

  • Smiles: CCCCCCCCCC1=COC2(C1=O)CC(C(O2)(CC(=O)O)C(=O)O)C(=O)O

  • Isomeric smiles: CCCCCCCCCC1=COC2(C1=O)CC(C(O2)(CC(=O)O)C(=O)O)C(=O)O

  • Inchi: InChI=1S/C20H28O9/c1-2-3-4-5-6-7-8-9-13-12-28-20(16(13)23)10-14(17(24)25)19(29-20,18(26)27)11-15(21)22/h12,14H,2-11H2,1H3,(H,21,22)(H,24,25)(H,26,27)

  • Inchikey: LQLCHKHILFZNKF-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H28O9

  • Molecular weight: 412.40

  • Monoisotopic mass: 412.17333247

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