Chem
J-GLOBAL ID:200907039861569733
Nikkaji number:J2.696.983B
Takanechromone A
タカネクロモンA
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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:
C16 H18 O9
Molecular formula furigana:
C16-H18-O9
Molecular weight:
354.311
InChI:
InChI=1S/C16H18O9/c1-6-5-23-9-3-7(2-8(18)11(9)12(6)19)24-16-15(22)14(21)13(20)10(4-17)25-16/h2-3,5,10,13-18,20-22H,4H2,1H3/t10-,13-,14+,15-,16-/m1/s1
InChI key:
BILSMWHIUSWVKI-LMXXTMHSSA-N
SMILES:
Cc1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O
Systematic name (3):
3-メチル-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
5-ヒドロキシ-3-メチル-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
5-hydroxy-3-methyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Other name (3):
3-Methyl-5-hydroxy-7-(β-D-glucopyranosyloxy)-4H-1-benzopyran-4-one
タカネクロモンA
Takanechromone A
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