小分子和化合物库
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[1-13C]-α-D-吡喃半乳糖磷酸二钾盐CAS号: 478518-78-4 Compound CID : 90472755分子式: (13-C)C5H11O9PK2 分子量: 337.31IUPAC Name: dipotassium;[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(213C)oxan-2-yl] phosphateSMILES: C(C1C(C(C(C(O1)OP(=O)([O-])[O-])O)O)O)O.[K+].[K+]InChIKey: KCIDZIIHRGYJAE-HLZBLTOGSA-LInChI: 1S/C6H13O9P.2K/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/t2-,3+,4+,5-,6-;;/m1../s1/i6+1;;
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厄贝沙坦-d7CAS号: 1329496-43-6分子式: C25H21D7N6O 分子量: 435.57IUPAC Name: 2-(2,2,3,3,4,4,4-heptadeuteriobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-oneSMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5InChIKey: YOSHYTLCDANDAN-NCKGIQLSSA-NInChI: 1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)/i1D3,2D2,3D2
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D-葡萄糖-2-¹³CCAS号: 105931-74-6分子式: C6H12O6 分子量: 181.15IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(313C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-UKLRSMCWSA-NInChI: 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i5+1
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亚油酸分子式: C18H32O2 分子量: 280.45IUPAC Name: (9Z,12Z)-octadeca-9,12-dienoic acidSMILES: CCCCCC=CCC=CCCCCCCCC(=O)OInChIKey: OYHQOLUKZRVURQ-HZJYTTRNSA-NInChI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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