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SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]1[C@@]3(Cc2cn3c4ccccc4nc3nc2C1)C.O Canonical SMILES: C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cn3c(nc1C2)nc1c3cccc1.O InChI: InChI=1S/C29H33N3O.H2O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24;/h1,5-8,17,19-22,33H,9-16H2,2-3H3;1H2/t19-,20+,21-,22-,27-,28-,29-;/m0./s1 InChIKey: RGVGINOANKXLLR-GCGDSGHKSA-N
CBID:132485 http://www.chembase.cn/molecule-132485.html