basic_info |
|
| Product_Name： | BENZOYLECGONINE HYDRATE |
| EnglishSynonyms： | BENZOYLECGONINE HYDRATE |
| pro_mdlNumber： | MFCD00150887 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | O.[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(O)=O)N2C |
| InChi： | InChI=1S/C16H19NO4.H2O/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10;/h2-6,11-14H,7-9H2,1H3,(H,18,19);1H2/t11-,12+,13-,14+;/m0./s1 |
| InChiKey： | InChIKey=FFQVHSAKNBCHHT-BHARVXRSSA-N |
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