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SMILES: COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2.O Canonical SMILES: COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2.O InChI: InChI=1S/C23H26N2O4.H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;1H2/t13-,18-,19-,21-,22-,23+;/m0./s1 InChIKey: IEJIBKWJYHZFNW-SUJBTXFYSA-N
CBID:147665 http://www.chembase.cn/molecule-147665.html