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丙酸氟替卡松-d5CAS号 : 1093258-28-6 Compound CID : 91820603分子式: C25H26F3O5SD5 分子量: 505.61IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,3-pentadeuteriopropanoateSMILES: CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCFInChIKey: WMWTYOKRWGGJOA-AMTWIDTLSA-NInChI: InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1/i1D3,5D2
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柠檬酸-2,4-¹³C₂CAS号 : 121633-50-9 Compound CID : 12303294分子式: C413C2H8O7 分子量: 194.11IUPAC Name: 2-hydroxy(1,3-13C2)propane-1,2,3-tricarboxylic acidSMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)OInChIKey: KRKNYBCHXYNGOX-ZDOIIHCHSA-NInChI: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1+1,2+1
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膦酰基乙酸三乙酯-1-13CCAS号 : 61203-67-6 Compound CID : 11218379分子式: (C2H5O)2P(O)CH213CO2C2H5 分子量: 225.18IUPAC Name: ethyl 2-diethoxyphosphorylacetateSMILES: CCOC(=O)CP(=O)(OCC)OCCInChIKey: GGUBFICZYGKNTD-VJJZLTLGSA-NInChI: InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3/i8+1
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乙二胺四乙酸 铜(II) 二钠盐CAS号 : 39208-15-6 Compound CID : 46245299分子式: C10H12CuN2Na2O8·xH2O 分子量: 397.74(anhydrous)IUPAC Name: copper;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;tetrahydrateSMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.O.O.[Na+].[Na+].[Cu+2]InChIKey: CHPMNDHAIUIBSK-UHFFFAOYSA-JInChI: InChI=1S/C10H16N2O8.Cu.2Na.4H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;4*1H2/q;+2;2*+1;;;;/p-4
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5-氨基乙酰丙酸-5-¹³C盐酸盐CAS号 : 52065-79-9 Compound CID : 12358380分子式: H2N13CH2COCH2CH2CO2H·HCl 分子量: 168.58SMILES: C(CC(=O)O)C(=O)[13CH2]N.ClInChIKey: ZLHFONARZHCSET-FJUFCODESA-NInChI: 1S/C5H9NO3.ClH/c6-3-4(7)1-2-5(8)9;/h1-3,6H2,(H,8,9);1H/i3+1;
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Acrylic acid-1-¹³CCAS号 : 95387-98-7 Compound CID : 12999056分子式: H2C=CH13CO2H 分子量: 73.06IUPAC Name: (113C)prop-2-enoic acidSMILES: C=CC(=O)OInChIKey: NIXOWILDQLNWCW-LBPDFUHNSA-NInChI: InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/i3+1
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Acrylonitrile-3-¹³CCAS号 : 55757-47-6 Compound CID : 16213369分子式: H213C=CHCN 分子量: 54.06IUPAC Name: (313C)prop-2-enenitrileSMILES: C=CC#NInChIKey: NLHHRLWOUZZQLW-OUBTZVSYSA-NInChI: InChI=1S/C3H3N/c1-2-3-4/h2H,1H2/i1+1
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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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D-葡萄糖-1,6-¹³C₂CAS号 : 287100-67-8 Compound CID : 71309493分子式: C413C2H12O6 分子量: 182.14IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(1,6-13C2)hexanalSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-OFAMVBKFSA-NInChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1,2+1
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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
