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Aspoquinolone d

  • Formula: C27H33NO7

  • Molecular weight: 483.60

  • Smiles: CC1(C(CCC(O1)(C)C=CC2=C(C3=C(C=C2)NC(=O)C(C3(C4=CC=C(C=C4)OC)O)OC)O)O)C

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Aspoquinolone d

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

  • Mycotoxin name: Aspoquinolone d

  • First synonym: Aspoquinolone d

  • Synonyms: Aspoquinolone D

Identifiers / External links

Structure

  • Smiles: CC1(C(CCC(O1)(C)C=CC2=C(C3=C(C=C2)NC(=O)C(C3(C4=CC=C(C=C4)OC)O)OC)O)O)C

  • Isomeric smiles: C[C@@]1(CC[C@H](C(O1)(C)C)O)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@@H]([C@]3(C4=CC=C(C=C4)OC)O)OC)O

  • Inchi: InChI=1S/C27H33NO7/c1-25(2)20(29)13-15-26(3,35-25)14-12-16-6-11-19-21(22(16)30)27(32,23(34-5)24(31)28-19)17-7-9-18(33-4)10-8-17/h6-12,14,20,23,29-30,32H,13,15H2,1-5H3,(H,28,31)/b14-12+/t20-,23+,26+,27-/m1/s1

  • Inchikey: UTNVYRJWGOKFBF-MXZNYFIPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H33NO7

  • Molecular weight: 483.60

  • Monoisotopic mass: 483.22570239

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