小分子和化合物库
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                        2-花生四烯酸甘油酯-d8CAS号: 924894-97-3 Compound CID : 5282280分子式: C23H30D8O4 分子量: 386.6SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO
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                        克霉唑-d5CAS号: 1185076-41-8分子式: C22H12D5ClN2 分子量: 349.87IUPAC Name: 1-[(2-chlorophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]imidazoleSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4InChIKey: VNFPBHJOKIVQEB-MBRJKSRSSA-NInChI: 1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H/i1D,3D,4D,9D,10D
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                        乙二胺四乙酸分子式: C10H16N2O8 分子量: 292.24IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acidSMILES: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)OInChIKey: KCXVZYZYPLLWCC-UHFFFAOYSA-NInChI: 1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
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                        4-(2-羟乙基)-1-哌嗪丙磺酸(HEPPS)CAS号: 16052-06-5 EC号: 240-198-8分子式: C9H20N2O4S 分子量: 252.33IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acidSMILES: C1CN(CCN1CCCS(=O)(=O)O)CCOInChIKey: OWXMKDGYPWMGEB-UHFFFAOYSA-NInChI: 1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)
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                        4-(2-羟乙基)-1-哌嗪丙磺酸(HEPPS)CAS号: 16052-06-5 EC号: 240-198-8分子式: C9H20N2O4S 分子量: 252.33IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acidSMILES: C1CN(CCN1CCCS(=O)(=O)O)CCOInChIKey: OWXMKDGYPWMGEB-UHFFFAOYSA-NInChI: 1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)
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                        D-糖酸钙四水合物CAS号: 5793-89-5分子式: C6H8CaO8·4H2O 分子量: 320.3IUPAC Name: calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrateSMILES: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.O.O.O.O.[Ca+2]InChIKey: ZQWFSIZRQANUDA-WQMSYZFBSA-LInChI: 1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2-,3-,4+;;;;;/m0...../s1
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                        L-丙氨酸-3,3,3-d₃CAS号: 63546-27-0分子式: C3H4D3NO2 分子量: 92.11IUPAC Name: (2S)-2-amino-3,3,3-trideuteriopropanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-VGCLAIIRSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1D3
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