basic_info |
|
| Product_Name： | AGARITINE MONOHYDRATE |
| EnglishSynonyms： | AGARITINE MONOHYDRATE |
| pro_mdlNumber： | MFCD11112204 |
| pro_acceptors： | 7 |
| pro_donors： | 5 |
| pro_smile： | c1cc(ccc1CO)NNC(=O)CC[C@@H](C(=O)O)N.O |
| InChi： | InChI=1S/C12H17N3O4.H2O/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9;/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19);1H2/t10-;/m0./s1 |
| InChiKey： | InChIKey=CFSSLDDBWOWSRN-PPHPATTJSA-N |
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