basic_info |
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| Product_Name: | SALICYLIC ACID BETA-D-O-GLUCURONIDE |
| CAS: | 7695-70-7 |
| EnglishSynonyms: | SALICYLIC ACID BETA-D-O-GLUCURONIDE ; SALICYLIC ACID GLUCURONIDE ; 2-CARBOXYPHENYL BETA-D-GLUCOPYRANOSIDURONIC ACID ; O-CARBOXYPHENY BETA-D-GLUCOPYRANOSIDURONIC ACID ; SALICYLIC GLUCURONIDE ; SALICYLIC ACID PHENOLIC D-GLUCURONIDE ; SALICYLIC ACID B-D-O-GLUCURONIDE ; SALICYLIC ACID PHENOLIC GLUCURONIDE |
| pro_mdlNumber: | MFCD02682888 |
| pro_acceptors: | 9 |
| pro_donors: | 5 |
| pro_smile: | c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| 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 |
| InChiKey: | InChIKey=JSCWDKKMLIQCMR-CDHFTJPESA-N |
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