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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 Compound CID : 45038700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: InChI=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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盐酸阿米替林-d6CAS号 : 203645-63-0 Compound CID : 76974221分子式: C20H18D6ClN 分子量: 319.90IUPAC Name: 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochlorideSMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.ClInChIKey: KFYRPLNVJVHZGT-TXHXQZCNSA-NInChI: InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H/i1D3,2D3;
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7-脱氢胆固醇-25,26,26,26,27,27,27-d₇CAS号 : 388622-58-0 Compound CID : 70699278分子式: C27H37D7O 分子量: 391.68IUPAC Name: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)CInChIKey: UCTLRSWJYQTBFZ-UDEPUTHCSA-NInChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
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D-甘露糖-1-¹³CCAS号 : 70849-31-9 Compound CID : 12285886分子式: 13CC5H12O6 分子量: 181.15IUPAC Name: (3S,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-YILIOCFTSA-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/i6+1
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L-丙氨酸-3,3,3-d₃CAS号 : 63546-27-0 Compound CID : 12205391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: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1D3
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L-亮氨酸-5,5,5-d₃CAS号 : 87828-86-2 Compound CID : 11073472分子式: CH3CH(CD3)CH2CH(NH2)CO2H 分子量: 134.19IUPAC Name: (2S)-2-amino-5,5,5-trideuterio-4-methylpentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-LONBSJBQSA-NInChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3/t4?,5-
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L-脯氨酸-¹³C₅CAS号 : 201740-83-2 Compound CID : 71309553分子式: C5H9NO2 分子量: 120.09IUPAC Name: (2S)-(2,3,4,5-13C4)azolidine-2-carboxylic acidSMILES: C1CC(NC1)C(=O)OInChIKey: ONIBWKKTOPOVIA-JRGPAWSWSA-NInChI: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1
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L-酪氨酸-(苯基-¹³C₆)CAS号 : 201595-63-3 Compound CID : 12144755分子式: 4-(HO)13C6H4CH2CH(NH2)CO2H 分子量: 187.14IUPAC Name: (2S)-2-amino-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)OInChIKey: OUYCCCASQSFEME-HXCZJXEJSA-NInChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1+1,2+1,3+1,4+1,6+1,7+1
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丙酮酸（1-¹³C）CAS号 : 99124-30-8分子式: CH3CO13CO2H 分子量: 89.05IUPAC Name: 2-oxo(113C)propanoic acidSMILES: CC(=O)[13C](O)=OInChIKey: LCTONWCANYUPML-LBPDFUHNSA-NInChI: InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/i3+1
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棕榈酸-1,2,3,4-¹³C₄CAS号 : 287100-89-4 Compound CID : 16213444分子式: CH3(CH2)11(13CH2)313CO2H 分子量: 260.39IUPAC Name: (1,2,3,4-13C4)hexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-FIZPRHLTSA-NInChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i13+1,14+1,15+1,16+1
