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L-[6-¹³C]岩藻糖CAS号: 478518-51-3 EC号: 219-452-7分子式: 13CC5H12O5 分子量: 165.15IUPAC Name: (3S,4R,5S,6S)-6-(113C)methyloxane-2,3,4,5-tetrolSMILES: CC1C(C(C(C(O1)O)O)O)OInChIKey: SHZGCJCMOBCMKK-BUCMHYPRSA-NInChI: 1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1/i1+1
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乙酰乙酸乙酯-1,2,3,4-¹³C₄CAS号: 84508-55-4分子式: C213C4H10O3 分子量: 134.11IUPAC Name: ethyl 3-oxo(1,2,3,4-13C4)butanoateSMILES: CCOC(=O)CC(=O)CInChIKey: XYIBRDXRRQCHLP-XMUWKQMQSA-NInChI: 1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3/i2+1,4+1,5+1,6+1
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乙酰乙酸乙酯-3-¹³CCAS号: 61973-42-0分子式: CH313COCH2CO2CH2CH3 分子量: 131.13IUPAC Name: ethyl 3-oxo(313C)butanoateSMILES: CCOC(=O)CC(=O)CInChIKey: XYIBRDXRRQCHLP-HOSYLAQJSA-NInChI: 1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3/i5+1
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硫胺素-(4-甲基-¹³C-噻唑-5-基-¹³C₃) 盐酸盐CAS号: 1257525-77-1 Compound CID : 71310993分子式: C12H18Cl2N4OS 分子量: 341.24IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-(113C)methyl-(2,4,5-13C3)1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochlorideSMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]InChIKey: DPJRMOMPQZCRJU-VJFONHOHSA-MInChI: 1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1/i1+1,7+1,8+1,11+1;;
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酮康唑CAS号: 65277-42-1 EC号: 265-667-4分子式: C26H28Cl2N4O4 分子量: 531.43IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanoneSMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)ClInChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-NInChI: 1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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