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Yaequinolone D

  • Formula: C27H33NO7

  • Molecular weight: 483.60

  • Smiles: CC1(CCC(OC1O)(C)C=CC2=C(C3=C(C=C2)NC(=O)C(C3(C4=CC=C(C=C4)OC)O)OC)O)C

  • Type: p-Methoxyphenylquinolinone

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Yaequinolone D

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

Names

  • Mycotoxin name: Yaequinolone D

  • First synonym: None

  • Synonyms: Yaequinolone D,(3R,4R)-4,5-dihydroxy-6-((E)-2-(6-hydroxy-2,5,5-trimethyltetrahydro-2H-pyran-2-yl)vinyl)-3-methoxy-4-(4-methoxyphenyl)-3,4-dihydroquinolin-2(1H)-one,CHEBI:193558

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Structure

  • Smiles: CC1(CCC(OC1O)(C)C=CC2=C(C3=C(C=C2)NC(=O)C(C3(C4=CC=C(C=C4)OC)O)OC)O)C

  • Isomeric smiles: CC1(CCC(OC1O)(C)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@@H]([C@]3(C4=CC=C(C=C4)OC)O)OC)O)C

  • Inchi: InChI=1S/C27H33NO7/c1-25(2)14-15-26(3,35-24(25)31)13-12-16-6-11-19-20(21(16)29)27(32,22(34-5)23(30)28-19)17-7-9-18(33-4)10-8-17/h6-13,22,24,29,31-32H,14-15H2,1-5H3,(H,28,30)/b13-12+/t22-,24?,26?,27+/m0/s1

  • Inchikey: XEODWAJPLQOYPN-XARLSHHXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H33NO7

  • Molecular weight: 483.60

  • Monoisotopic mass: 483.22570239

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