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mitorubrinal

  • Formula: C21H16O8

  • Molecular weight: 396.30

  • Smiles: CC1=CC(=CC(=C1C(=O)OC2(C(=O)C=C3C=C(OC=C3C2=O)C=CC=O)C)O)O

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mitorubrinal

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

Names

  • Mycotoxin name: mitorubrinal

  • First synonym: (-)-mitorubrinal

  • Synonyms: (-)-Mitorubrinal,SAZKXUITORBGED-YEFOHOTDSA-

Identifiers / External links

Structure

  • Smiles: CC1=CC(=CC(=C1C(=O)OC2(C(=O)C=C3C=C(OC=C3C2=O)C=CC=O)C)O)O

  • Isomeric smiles: CC1=CC(=CC(=C1C(=O)O[C@@]2(C(=O)C=C3C=C(OC=C3C2=O)/C=C/C=O)C)O)O

  • Inchi: InChI=1S/C21H16O8/c1-11-6-13(23)9-16(24)18(11)20(27)29-21(2)17(25)8-12-7-14(4-3-5-22)28-10-15(12)19(21)26/h3-10,23-24H,1-2H3/b4-3+/t21-/m1/s1

  • Inchikey: SAZKXUITORBGED-YEFOHOTDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H16O8

  • Molecular weight: 396.30

  • Monoisotopic mass: 396.08451746

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