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Propofol-d17β-D-glucuronideCAS号: 1683581-05-6分子式: C18H9D17O7 分子量: 371.50SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])([2H])C(C([2H])=C([2H])C([2H])=C1C(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])=C1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C(O)=O
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D-Glutamic acid-d5CAS号: 14341-88-9分子式: C5H4D5NO4 分子量: 152.16IUPAC Name: (2R)-2-amino-2,3,3,4,4-pentadeuteriopentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-XSDLJHQPSA-NInChI: 1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1/i1D2,2D2,3D
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DL-苯丙氨酸-2-13CCAS号: 64193-01-7分子式: C6H5CH213CH(NH2)CO2H 分子量: 166.18IUPAC Name: phenyl (2S)-2-amino(213C)propanoateSMILES: CC(C(=O)OC1=CC=CC=C1)NInChIKey: HCRMTRJXSDDOIK-DYQYKUGJSA-NInChI: 1S/C9H11NO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1/i7+1
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(Aminomethyl)phosphonic acid-d2CAS号: 30926-24-0分子式: CH4D2NO3P 分子量: 113.05SMILES: NC([2H])([2H])P(O)(O)=O
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Aspartame-d5CAS号: 1356849-17-6分子式: C14H13D5N2O5 分子量: 299.33IUPAC Name: (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-(2,3,4,5,6-pentadeuteriophenyl)propan-2-yl]amino]-4-oxobutanoic acidSMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NInChIKey: IAOZJIPTCAWIRG-HEPISUNPSA-NInChI: 1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1/i2D,3D,4D,5D,6D
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L-Carnitine-d3hydrochlorideCAS号: 350818-62-1分子式: C7H13D3ClNO3 分子量: 200.68IUPAC Name: [(2R)-3-carboxy-2-hydroxypropyl]-dimethyl-(trideuteriomethyl)azanium;chlorideSMILES: C[N+](C)(C)CC(CC(=O)O)O.[Cl-]InChIKey: JXXCENBLGFBQJM-QKBJTWEASA-NInChI: 1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1/i1D3;
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Ezetimibe-d4CAS号: 1093659-90-5分子式: C24H17D4F2NO3 分子量: 413.45IUPAC Name: (3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)azetidin-2-oneSMILES: C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)O)OInChIKey: OLNTVTPDXPETLC-ARVCERDTSA-NInChI: 1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1/i7D,8D,9D,10D
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Niclosamide-13C6CAS号: 1325808-64-7分子式: C713C6H8Cl2N2O4 分子量: 333.08SMILES: O=C(N[13C]1=[13CH][13CH]=[13C]([N+]([O-])=O)[13CH]=[13C]1Cl)C2=CC(Cl)=CC=C2O
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(2-Carboxyethyl)dimethylsulfonium-d6chlorideCAS号: 1246274-70-3分子式: C5H5D6ClO2S 分子量: 176.69SMILES: [2H]C([S+](CCC(O)=O)C([2H])([2H])[2H])([2H])[2H].[Cl-]
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Veratraldehyde-d3CAS号: 143318-06-3分子式: C9H7D3O3 分子量: 169.19SMILES: O=CC1=CC=C(OC([2H])([2H])[2H])C(OC)=C1
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Lauroyl-L-carnitine-d9chlorideCAS号: 2245711-25-3分子式: C19H29D9ClNO4 分子量: 389.02SMILES: CCCCCCCCCCCC(O[C@H](CC(O)=O)C[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=O.[Cl-]
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Benzoate-d5sodiumCAS号: 62790-26-5 Compound CID : 23671533分子式: C6D5CO2Na 分子量: 149.13IUPAC Name: sodium;2,3,4,5,6-pentadeuteriobenzoateSMILES: C1=CC=C(C=C1)C(=O)[O-].[Na+]InChIKey: WXMKPNITSTVMEF-GWVWGMRQSA-MInChI: 1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1/i1D,2D,3D,4D,5D;
