Pro_Molecular_Structure:
pro_cdbregno:CCD00065280
CAFFEINE CHLOROGENIC ACID COMPLEX
pro_cas:
7509-32-2
pro_formula:C16 H17 O9 . C8 H10 N4 O2 . K
pro_molWeight:586.592
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| Product_Name： | CAFFEINE CHLOROGENIC ACID COMPLEX |
| CAS： | 7509-32-2 |
| EnglishSynonyms： | CAFFEINE CHLOROGENIC ACID COMPLEX |
| pro_mdlNumber： | MFCD00135056 |
| pro_acceptors： | 9 |
| pro_donors： | 5 |
| pro_smile： | Cn1cnc2c1c(=O)n(c(=O)n2C)C.c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)[O-])O)O)O.[K+] |
| InChi： | InChI=1S/C16H18O9.C8H10N4O2.K/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23);4H,1-3H3;/q;;+1/p-1/b4-2+;;/t11-,12-,14-,16+;;/m1../s1 |
| InChiKey： | InChIKey=MDBFHGLRKNSDBF-MDBZCXQGSA-M |
basic_info
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