Chem
J-GLOBAL ID：200907060600277408   Nikkaji number：J353.500B

ATX II

ATX II
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H14O6
Molecular formula furigana： C20-H14-O6
Molecular weight： 350.326
InChI： InChI=1S/C20H14O6/c21-9-4-2-8-7-1-3-10(22)14-12(7)16(18-19(26-18)17(14)24)20(25)6-5-11(23)13(9)15(8)20/h1-4,16,18-19,21-22,25H,5-6H2/t16-,18?,19-,20-/m0/s1
InChI key： UBVHBTLDPUYTDO-ZCGPSCNVSA-N
SMILES： Oc1ccc2c3ccc(O)c4C(=O)CC[C@@](O)([C@@H]5C6O[C@H]6C(=O)c1c25)c34
Systematic name  (3)：
  • (7aR)-7aβ,8a,8bα,8cβ,9,10-ヘキサヒドロ-1,6,8cβ-トリヒドロキシペリロ[1,2-b]オキシレン-7,11-ジオン
  • (7aR,8bS,8cR)-1,6,8c-トリヒドロキシ-7H,7aH,8aH,8bH,8cH,9H,10H,11H-ペリレノ[1,2-b]オキシレン-7,11-ジオン
  • (7aR,8bS,8cR)-1,6,8c-trihydroxy-7H,7aH,8aH,8bH,8cH,9H,10H,11H-peryleno[1,2-b]oxirene-7,11-dione
Other name (6)：
  • アネモニアスルカータ毒素II
  • ATX II
  • トキシンII【Anemoniasulcata】
  • Anemonia sulcata toxin II
  • (7aR)-7aβ,8a,8bα,8cβ,9,10-Hexahydro-1,6,8cβ-trihydroxyperyl[1,2-b]oxirene-7,11-dione
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