basic_info |
|
| Product_Name： | CATECHOLAMIC ACID |
| CAS： | 82773-07-7 |
| EnglishSynonyms： | CATECHOLAMIC ACID |
| pro_mdlNumber： | MFCD09838077 |
| pro_acceptors： | 12 |
| pro_donors： | 6 |
| pro_smile： | c1cc(c(c(c1CN(CC(=O)O)CC(=O)O)O)O)CN(CC(=O)O)CC(=O)O |
| InChi： | InChI=1S/C16H20N2O10/c19-11(20)5-17(6-12(21)22)3-9-1-2-10(16(28)15(9)27)4-18(7-13(23)24)8-14(25)26/h1-2,27-28H,3-8H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26) |
| InChiKey： | InChIKey=CVKGUVNGXVVLRH-UHFFFAOYSA-N |
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