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Aspoquinolone b

  • Formula: C27H31NO6

  • Molecular weight: 465.50

  • Smiles: CC1(C2CC2C(O1)(C)C=CC3=C(C4=C(C=C3)NC(=O)C(C4(C5=CC=C(C=C5)OC)O)OC)O)C

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Aspoquinolone b

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

  • Mycotoxin name: Aspoquinolone b

  • First synonym: Aspoquinolone b

  • Synonyms: Aspoquinolone B

Identifiers / External links

Structure

  • Smiles: CC1(C2CC2C(O1)(C)C=CC3=C(C4=C(C=C3)NC(=O)C(C4(C5=CC=C(C=C5)OC)O)OC)O)C

  • Isomeric smiles: C[C@]1([C@@H]2C[C@@H]2C(O1)(C)C)/C=C/C3=C(C4=C(C=C3)NC(=O)[C@@H]([C@]4(C5=CC=C(C=C5)OC)O)OC)O

  • Inchi: InChI=1S/C27H31NO6/c1-25(2)18-14-19(18)26(3,34-25)13-12-15-6-11-20-21(22(15)29)27(31,23(33-5)24(30)28-20)16-7-9-17(32-4)10-8-16/h6-13,18-19,23,29,31H,14H2,1-5H3,(H,28,30)/b13-12+/t18-,19+,23-,26+,27+/m0/s1

  • Inchikey: AISVMTZASACEBH-YCFXYUOFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H31NO6

  • Molecular weight: 465.50

  • Monoisotopic mass: 465.21513771

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