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恩诺沙星-D5CAS号 : 1173021-92-5 Compound CID : 46781453分子式: C19H17D5FN3O3 分子量: 364.43IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]quinoline-3-carboxylic acidSMILES: CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)FInChIKey: SPFYMRJSYKOXGV-ZBJDZAJPSA-NInChI: InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)/i1D3,2D2
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正辛醛-d16CAS号 : 1219794-66-7 Compound CID : 71751283分子式: C8D16O 分子量: 144.31IUPAC Name: 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecadeuteriooctan-1-oneSMILES: CCCCCCCC=OInChIKey: NUJGJRNETVAIRJ-ZEFOBESCSA-NInChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D
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25-羟基维生素 D₃-26,26,26,27,27,27-d₆ 一水合物CAS号 : 2483831-70-3分子量: 424.69SMILES: C[C@]1(CCC/2)C(CCC1[C@H](C)CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])C2=C\\C=C(C[C@@H](O)CC3)/C3=C.[H]O[H]InChIKey: WRLFSJXJGJBFJQ-DZAJWRDGSA-NInChI: 1S/C27H44O2.H2O/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29;/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3;1H2/b21-11+,22-12-;/t20-,23+,24?,25?,27-;/m1./s1/i3D3,4D3;
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L-半胱氨酸-¹³C₃,¹⁵NCAS号 : 202406-97-1分子式: 13C3H715NO2S 分子量: 125.13IUPAC Name: (2S)-2-(15N)azanyl-3-sulfanyl(1,2,3-13C3)propanoic acidSMILES: C(C(C(=O)O)N)SInChIKey: XUJNEKJLAYXESH-ROQAEYOOSA-NInChI: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1/i1+1,2+1,3+1,4+1
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L-甲硫氨酸-¹³C₅,¹⁵NCAS号 : 202468-47-1分子式: 13CH3S13CH213CH213CH(15NH2)13CO2H 分子量: 155.17SMILES: [13CH3]S[13CH2][13CH2][13C@H]([15NH2])[13C](O)=OInChIKey: FFEARJCKVFRZRR-XAFSXMPTSA-NInChI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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L-色氨酸-¹³C₁₁,¹⁵N₂CAS号 : 202406-50-6 Compound CID : 162394691分子式: C11H12N2O2 分子量: 217.13IUPAC Name: (2R)-2-(15N)azanyl-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NInChIKey: QIVBCDIJIAJPQS-HNEHNLBWSA-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-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1
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二十烷酸-d₃₉酸CAS号 : 39756-32-6 Compound CID : 102044916分子式: CD3(CD2)18COOH 分子量: 351.77IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-nonatriacontadeuterioicosanoic acidSMILES: CCCCCCCCCCCCCCCCCCCC(=O)OInChIKey: VKOBVWXKNCXXDE-BKDZISOFSA-NInChI: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2
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二苯甲酮-(羰基-¹³C)CAS号 : 32488-48-5 Compound CID : 11171364分子式: (C6H5)213CO 分子量: 183.21IUPAC Name: diphenyl(113C)methanoneSMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2InChIKey: RWCCWEUUXYIKHB-KCKQSJSWSA-NInChI: InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i13+1
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生物素-(环-6,6-d₂)CAS号 : 1217481-41-8 Compound CID : 253分子式: C10H16N2O3S 分子量: 244.31IUPAC Name: 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acidSMILES: C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2InChIKey: YBJHBAHKTGYVGT-UHFFFAOYSA-NInChI: InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)
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