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Monascusazaphilol

  • Formula: C25H36O5

  • Molecular weight: 416.50

  • Smiles: CCCCCCCCCC(C1C2CC3=C(COC(=C3)C=CC)C(=O)C2(OC1=O)C)O

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Monascusazaphilol

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

  • Mycotoxin name: Monascusazaphilol

  • First synonym: None

  • Synonyms: Monascusazaphilol

Identifiers / External links

Structure

  • Smiles: CCCCCCCCCC(C1C2CC3=C(COC(=C3)C=CC)C(=O)C2(OC1=O)C)O

  • Isomeric smiles: CCCCCCCCC[C@H]([C@@H]1[C@H]2CC3=C(COC(=C3)/C=C/C)C(=O)[C@@]2(OC1=O)C)O

  • Inchi: InChI=1S/C25H36O5/c1-4-6-7-8-9-10-11-13-21(26)22-20-15-17-14-18(12-5-2)29-16-19(17)23(27)25(20,3)30-24(22)28/h5,12,14,20-22,26H,4,6-11,13,15-16H2,1-3H3/b12-5+/t20-,21-,22+,25-/m1/s1

  • Inchikey: NJQLWRBJVNRCCF-FEPYJMQVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H36O5

  • Molecular weight: 416.50

  • Monoisotopic mass: 416.25627424

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