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1-Salicylate glucuronide (2S,3S,4S,5R,6S)-6-(2-羧基苯氧基)-3,4,5-三羟基四氢-2H-吡喃-2-羧酸
CAS 7695-70-7 MFCD02682888
化学结构图
SMILES: O=C(O)c1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
化学属性
Mol. Formula
C13H14O9
Mol. Weight
314.24
Melting Point
131-133 °C
别名和识别编码
Chemical Name
1-Salicylate glucuronide
CAS Number
7695-70-7
Synonym
(2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {} {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {} {} {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {} {} {} {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {} {} {} {} {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {} {} {} {} {} {} {LY} (2S
Chemical Name Translation
(2S,3S,4S,5R,6S)-6-(2-羧基苯氧基)-3,4,5-三羟基四氢-2H-吡喃-2-羧酸
InChIKey
JSCWDKKMLIQCMR-CDHFTJPESA-N
PubChem Substance ID
3084023
InChI
InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1
LabNetwork Molecule ID
LN04669783
MDL Number
Canonical SMILES
O=C(O)C1=CC=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O2)O)O)O
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分类
Metabolites & Impurities
Pharmaceuticals
Intermediates & Fine Chemicals,
产品应用
Salicylic Acid ?-D-O-Glucuronide is a metabolite of Acetylsalicylic Acid (Aspirin) (A187780).
相关文献及参考
Grootveld, M., et al.: Biochem. Pharmacol., 37, 271
安全信息
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