Chem
J-GLOBAL ID：200907061911771399   Nikkaji number：J930.173I

Myrciaphenone B

ミルシアフェノン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： C21H22O13
Molecular formula furigana： C21-H22-O13
Molecular weight： 482.394
InChI： InChI=1S/C21H22O13/c1-7(22)15-10(24)4-9(23)5-13(15)33-21-19(30)18(29)17(28)14(34-21)6-32-20(31)8-2-11(25)16(27)12(26)3-8/h2-5,14,17-19,21,23-30H,6H2,1H3/t14-,17-,18+,19-,21-/m1/s1
InChI key： GXHABJFCOYOIBY-FKRBRYKNSA-N
SMILES： CC(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2′-[(6-O-ガロイル-β-D-グルコピラノシル)オキシ]-4′,6′-ジヒドロキシアセトフェノン
  • [(2R,3S,4S,5R,6S)-6-(2-アセチル-3,5-ジヒドロキシフェノキシ)-3,4,5-トリヒドロキシオキサン-2-イル]メチル 3,4,5-トリヒドロキシベンゾアート
  • [(2R,3S,4S,5R,6S)-6-(2-acetyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Other name (3)：
  • ミルシアフェノンB
  • Myrciaphenone B
  • 2′-[(6-O-Galloyl-β-D-glucopyranosyl)oxy]-4′,6′-dihydroxyacetophenone
Thsaurus map：
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