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8-o-methylaverufin

  • Formula: C21H18O7

  • Molecular weight: 382.40

  • Smiles: CC12CCCC(O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5OC)O

  • Type: Anthraquinoid

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8-o-methylaverufin

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

  • Mycotoxin name: 8-o-methylaverufin

  • First synonym: 8-o-methylaverufin

  • Synonyms: 8-O-methylaverufin,6-O-methylnidurufin

Identifiers / External links

Structure

  • Smiles: CC12CCCC(O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5OC)O

  • Isomeric smiles: C[C@]12CCC[C@H](O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5OC)O

  • Inchi: InChI=1S/C21H18O7/c1-21-5-3-4-12(27-21)17-14(28-21)8-11-16(20(17)25)19(24)15-10(18(11)23)6-9(22)7-13(15)26-2/h6-8,12,22,25H,3-5H2,1-2H3/t12-,21-/m0/s1

  • Inchikey: QZGXXZPRJHSVTD-QKVFXAPYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H18O7

  • Molecular weight: 382.40

  • Monoisotopic mass: 382.10525291

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