Chem
J-GLOBAL ID：200907035420209264   Nikkaji number：J336.202G

Lactucin

ラクツシン
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： C15H16O5
Molecular formula furigana： C15-H16-O5
Molecular weight： 276.288
InChI： InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3/t9-,12-,13+,14+/m1/s1
InChI key： VJQAFLAZRVKAKM-QQUHWDOBSA-N
SMILES： CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](O)C1)C(=CC2=O)CO
Systematic name  (3)：
  • (3aR)-3,3aβ,4,5,9aβ,9bα-ヘキサヒドロ-4α-ヒドロキシ-9-(ヒドロキシメチル)-6-メチル-3-メチレンアズレノ[4,5-b]フラン-2,7-ジオン
  • (3aR,4R,9aS,9bR)-4-ヒドロキシ-9-(ヒドロキシメチル)-6-メチル-3-メチリデン-2H,3H,3aH,4H,5H,7H,9aH,9bH-アズレノ[4,5-b]フラン-2,7-ジオン
  • (3aR,4R,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione
Other name (3)：
  • Lactucin
  • ラクツシン
  • (3aR)-3,3aβ,4,5,9aβ,9bα-Hexahydro-4α-hydroxy-9-(hydroxymethyl)-6-methyl-3-methyleneazuleno[4,5-b]furan-2,7-dione
CAS registry number： 1891-29-8
KEGG COMPOUND： C09489
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