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SMILES: N1(C(=O)[C@H]2C34C([C@@]5(C([C@](C(=O)O)(CCC5)C)CC4)C)CC([C@H]2C1=O)C(=C3)C(C)C)c1cc(C(=O)O)ccc1 Canonical SMILES: CC(C1=CC23CCC4[C@](C3CC1[C@@H]1[C@H]2C(=O)N(C1=O)c1cccc(c1)C(=O)O)(C)CCC[C@@]4(C)C(=O)O)C InChI: InChI=1S/C31H37NO6/c1-16(2)20-15-31-12-9-21-29(3,10-6-11-30(21,4)28(37)38)22(31)14-19(20)23-24(31)26(34)32(25(23)33)18-8-5-7-17(13-18)27(35)36/h5,7-8,13,15-16,19,21-24H,6,9-12,14H2,1-4H3,(H,35,36)(H,37,38)/t19?,21?,22?,23-,24+,29+,30-,31?/m1/s1 InChIKey: HBJMDWSNDUDODD-LAXZHINISA-N
CBID:187850 http://www.chembase.cn/molecule-187850.html