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磷酸胆碱-d9氯化钙盐CAS号 : 344299-43-0分子式: C5H4D9NO4P・Ca・Cl 分子量: 266.72IUPAC Name: calcium;2-[tris(trideuteriomethyl)azaniumyl]ethyl phosphate;chlorideSMILES: O=P([O-])([O-])OCC[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[Ca+2].[Cl-]InChIKey: ICVPTJCCKTXCDT-VIVYLVLJSA-LInChI: InChI=1S/C5H14NO4P.Ca.ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);;1H/q;+2;/p-2/i1D3,2D3,3D3;;
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L-苯丙氨酸-d5CAS号 : 56253-90-8 Compound CID : 13000992分子式: C9D5H6NO2 分子量: 170.22IUPAC Name: (2S)-2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: COLNVLDHVKWLRT-HRVDQBBZSA-NInChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1D,2D,3D,4D,5D
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D-[4-2H]葡萄糖CAS号 : 56570-89-9 Compound CID : 131698450分子式: C6H11DO6 分子量: 181.16IUPAC Name: (3R,4R,5S,6R)-5-deuterio-6-(hydroxymethyl)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-KHOLKCTKSA-NInChI: InChI=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/i3D
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D,L-色氨酸-d3CAS号 : 340257-61-6 Compound CID : 71752878分子式: C11H9D3N2O2 分子量: 207.24IUPAC Name: 2-amino-2,3,3-trideuterio-3-(1H-indol-3-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NInChIKey: QIVBCDIJIAJPQS-GAUJEYLJSA-NInChI: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/i5D2,9D
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L-色氨酸-d₅CAS号 : 62595-11-3 Compound CID : 12209747分子式: C11D5H7N2O2 分子量: 209.26IUPAC Name: (2S)-2-amino-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NInChIKey: QIVBCDIJIAJPQS-HLTLGYGQSA-NInChI: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1D,2D,3D,4D,6D
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L-鸟氨酸-d6盐酸盐CAS号 : 347841-40-1 Compound CID : 71309858分子式: C5H7D6ClN2O2 分子量: 174.66IUPAC Name: (2S)-2,5-diamino-3,3,4,4,5,5-hexadeuteriopentanoic acid;hydrochlorideSMILES: C(CC(C(=O)O)N)CN.ClInChIKey: GGTYBZJRPHEQDG-IYAGNYDCSA-NInChI: InChI=1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m0./s1/i1D2,2D2,3D2;
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孕烯醇酮-d4CAS号 : 61574-54-7分子式: C21H28D4O2 分子量: 320.58IUPAC Name: 2,2,2-trideuterio-1-[(3S,8S,9S,10R,13S,14S,17S)-17-deuterio-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanoneSMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: ORNBQBCIOKFOEO-QVFJSNPXSA-NInChI: InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1/i1D3,17D
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己酮可可碱-d6CAS号 : 1185878-98-1 Compound CID : 46782702分子式: C13H12D6N4O3 分子量: 284.34IUPAC Name: 1-(5-oxohexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dioneSMILES: CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CInChIKey: BYPFEZZEUUWMEJ-XERRXZQWSA-NInChI: InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3/i2D3,3D3
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艾沙康唑-D4CAS号 : 1346598-58-0 Compound CID : 71749534分子式: C22H13D4F2N5OS 分子量: 441.49IUPAC Name: 2,3,5,6-tetradeuterio-4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrileSMILES: CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)OInChIKey: DDFOUSQFMYRUQK-KUXFOAEVSA-NInChI: InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1/i2D,3D,4D,5D
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