basic_info |
|
| Product_Name： | GREGATIN C |
| CAS： | 58845-81-1 |
| EnglishSynonyms： | GREGATIN C |
| pro_mdlNumber： | MFCD08274580 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | CC/C=C/C=C/C1(C(=O)C(=C(O1)OC)C(=O)CC(C)O)C |
| InChi： | InChI=1S/C16H22O5/c1-5-6-7-8-9-16(3)14(19)13(15(20-4)21-16)12(18)10-11(2)17/h6-9,11,17H,5,10H2,1-4H3/b7-6+,9-8+ |
| InChiKey： | InChIKey=MIJOUROEQMOJOM-BLHCBFLLSA-N |
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