Chem
J-GLOBAL ID：200907083495384082   Nikkaji number：J2.042.300E

(S)-4-(3-Hydroxyphenyl)-4-(β-D-glucopyranosyloxy)butyric acid

(S)-4-(3-ヒドロキシフェニル)-4-(β-D-グルコピラノシルオキシ)酪酸
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： C16H22O9
Molecular formula furigana： C16-H22-O9
Molecular weight： 358.343
InChI： InChI=1S/C16H22O9/c17-7-11-13(21)14(22)15(23)16(25-11)24-10(4-5-12(19)20)8-2-1-3-9(18)6-8/h1-3,6,10-11,13-18,21-23H,4-5,7H2,(H,19,20)/t10-,11+,13+,14-,15+,16+/m0/s1
InChI key： ZFLAGDYAICGBRL-YARPKSRZSA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H](CCC(=O)O)c2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (S)-4-(3-ヒドロキシフェニル)-4-(β-D-グルコピラノシルオキシ)酪酸
  • (4S)-4-(3-ヒドロキシフェニル)-4-{[(2R,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}ブタン酸
  • (4S)-4-(3-hydroxyphenyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoic acid
Other name (1)：
  • (S)-4-(3-Hydroxyphenyl)-4-(β-D-glucopyranosyloxy)butyric acid
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