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小分子和化合物库
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三硬脂基亚磷酸酯分子式: C54H111O3P 分子量: 839.45IUPAC Name: trioctadecyl phosphiteSMILES: CCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCInChIKey: CNUJLMSKURPSHE-UHFFFAOYSA-NInChI: 1S/C54H111O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58(56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
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裂番木鳖苷CAS号: 19351-63-4 Compound CID : 161276分子式: C17H24O10 分子量: 388.37IUPAC Name: methyl (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylateSMILES: COC(=O)C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O)OInChIKey: CSKKDSFETGLMSB-NRZPKYKESA-NInChI: 1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1
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2-氨基-6,8-二羟基嘌呤盐酸盐CAS号: 1246818-54-1 Compound CID : 136257790分子式: C5H6ClN5O2 分子量: 203.59IUPAC Name: 2-amino-7,9-dihydro-1H-purine-6,8-dione;hydrochlorideSMILES: C12=C(NC(=O)N1)N=C(NC2=O)N.ClInChIKey: NZKRTEBHJIBRHK-UHFFFAOYSA-NInChI: 1S/C5H5N5O2.ClH/c6-4-8-2-1(3(11)10-4)7-5(12)9-2;/h(H5,6,7,8,9,10,11,12);1H
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5-甲基四氢叶酸二钠盐CAS号: 68792-52-9分子式: C20H23N7Na2O6 分子量: 503.42IUPAC Name: disodium;2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioateSMILES: CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]InChIKey: KKIWVYLOTHCGRV-UHFFFAOYSA-LInChI: See more
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4-羟基-TEMPO-d₁₇CAS号: 100326-46-3分子式: C9H18NO2 分子量: 189.35SMILES: CC1(CC(CC(N1[O])(C)C)O)CInChIKey: UZFMOKQJFYMBGY-DEMDKEALSA-NInChI: 1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D
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普罗布考-丙酰基-¹³C3CAS号: 1173019-29-8分子式: ¹³C3C28H48O2S2 分子量: 519.82SMILES: CC(C)(C)c1cc(S[13C]([13CH3])([13CH3])Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)CInChIKey: FYPMFJGVHOHGLL-DGVNISHSSA-NInChI: 1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3/i13+1,14+1,31+1
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