Chem
J-GLOBAL ID：201007016513344648   Nikkaji number：J2.802.585H

Bracteatin 6-O-glucoside

ブラクテアチン6-O-グルコシド
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： C21H20O12
Molecular formula furigana： C21-H20-O12
Molecular weight： 464.379
InChI： InChI=1S/C21H20O12/c22-6-14-18(28)19(29)20(30)21(33-14)31-8-4-9(23)15-12(5-8)32-13(17(15)27)3-7-1-10(24)16(26)11(25)2-7/h1-5,14,18-26,28-30H,6H2/t14-,18-,19+,20-,21-/m1/s1
InChI key： SFXSFWVZPKEDPA-LNCSSOGTSA-N
SMILES： OC[C@H]1O[C@@H](Oc2cc3OC(=Cc4cc(O)c(O)c(O)c4)C(=O)c3c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2-(3,4,5-トリヒドロキシベンジリデン)-4-ヒドロキシ-6-(β-D-グルコピラノシルオキシ)ベンゾフラン-3(2H)-オン
  • 4-ヒドロキシ-6-{[(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}-2-[(3,4,5-トリヒドロキシフェニル)メチリデン]-2,3-ジヒドロ-1-ベンゾフラン-3-オン
  • 4-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-[(3,4,5-trihydroxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one
Other name (3)：
  • 2-(3,4,5-Trihydroxybenzylidene)-4-hydroxy-6-(β-D-glucopyranosyloxy)benzofuran-3(2H)-one
  • Bracteatin 6-O-glucoside
  • ブラクテアチン6-O-グルコシド
KEGG COMPOUND： C16410
Thsaurus map：
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