basic_info |
|
| Product_Name： | THEOPHYLLINEACETIC ALDEHYDE |
| EnglishSynonyms： | THEOPHYLLINEACETIC ALDEHYDE |
| pro_mdlNumber： | MFCD01230816 |
| pro_acceptors： | 7 |
| pro_donors： | 1 |
| pro_smile： | Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)CC=O |
| InChi： | InChI=1S/C9H10N4O3/c1-12-7-6(8(15)13(2)9(12)16)10-5(11-7)3-4-14/h4H,3H2,1-2H3,(H,10,11) |
| InChiKey： | InChIKey=OBDACWNTLKUNLI-UHFFFAOYSA-N |
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