basic_info |
|
| Product_Name： | PROPYLBENZOYLECGONINE |
| EnglishSynonyms： | PROPYLBENZOYLECGONINE |
| pro_mdlNumber： | MFCD02682122 |
| pro_acceptors： | 5 |
| pro_donors： | 0 |
| pro_smile： | CCCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)c3ccccc3 |
| InChi： | InChI=1S/C19H25NO4/c1-3-11-23-19(22)17-15-10-9-14(20(15)2)12-16(17)24-18(21)13-7-5-4-6-8-13/h4-8,14-17H,3,9-12H2,1-2H3/t14-,15+,16-,17+/m0/s1 |
| InChiKey： | InChIKey=VNLZTPINKMHMPX-VVLHAWIVSA-N |
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