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SMILES: C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]1[C@H]2CCC2=CC(=O)C(=C[C@]12C)C(=O)O)O)C)O Canonical SMILES: O[C@H]1C[C@@]2(C)[C@H]([C@H]3[C@H]1[C@@]1(C)C=C(C(=O)O)C(=O)C=C1CC3)CC[C@]2(C)O InChI: InChI=1S/C21H28O5/c1-19-9-13(18(24)25)15(22)8-11(19)4-5-12-14-6-7-21(3,26)20(14,2)10-16(23)17(12)19/h8-9,12,14,16-17,23,26H,4-7,10H2,1-3H3,(H,24,25)/t12-,14-,16-,17+,19-,20-,21-/m0/s1 InChIKey: JOFBZBDWOWPUMO-QARKFJNLSA-N
CBID:129308 http://www.chembase.cn/molecule-129308.html