Chem
J-GLOBAL ID：200907058540779536   Nikkaji number：J2.696.984K

Takanechromone B

タカネクロモンB
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： C17H20O9
Molecular formula furigana： C17-H20-O9
Molecular weight： 368.338
InChI： InChI=1S/C17H20O9/c1-2-7-6-24-10-4-8(3-9(19)12(10)13(7)20)25-17-16(23)15(22)14(21)11(5-18)26-17/h3-4,6,11,14-19,21-23H,2,5H2,1H3/t11-,14-,15+,16-,17-/m1/s1
InChI key： XXVQMLKMHPWDOH-ZQOQDGPXSA-N
SMILES： CCc1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O
Systematic name  (3)：
  • 3-エチル-5-ヒドロキシ-7-(β-D-グルコピラノシルオキシ)-4H-1-ベンゾピラン-4-オン
  • 3-エチル-5-ヒドロキシ-7-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-4H-クロメン-4-オン
  • 3-ethyl-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Other name (3)：
  • 3-Ethyl-5-hydroxy-7-(β-D-glucopyranosyloxy)-4H-1-benzopyran-4-one
  • タカネクロモンB
  • Takanechromone B
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