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罗苏伐他汀-d3钠盐CAS号 : 1279031-70-7 Compound CID : 45359102分子式: C22H24D3FN3O6S・Na 分子量: 506.54IUPAC Name: sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methylsulfonyl(trideuteriomethyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoateSMILES: CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Na+]InChIKey: RGEBGDYYHAFODH-SYRJKFITSA-MInChI: InChI=1S/C22H28FN3O6S.Na/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;+1/p-1/b10-9+;/t16-,17-;/m1./s1/i3D3;
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2-酮基-3-(甲基-¹³C)-丁酸-4-¹³C 酸钠盐CAS号 : 634908-42-2 Compound CID : 23697315分子式: 13CH3CH(13CH3)COCO2Na 分子量: 140.08IUPAC Name: sodium;3-(113C)methyl-2-oxo(413C)butanoateSMILES: CC(C)C(=O)C(=O)[O-].[Na+]InChIKey: WIQBZDCJCRFGKA-AWQJXPNKSA-MInChI: InChI=1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1+1,2+1;
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3, 3'-二碘-L-甲状腺素-(苯氧基-¹³C₆) (T2) 盐酸盐CAS号 : 1217459-13-6 Compound CID : 71310841分子式: C913C6H13I2NO4 分子量: 531.03IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxy-3-iodophenyl]propanoic acidSMILES: C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C=C2)O)IInChIKey: CPCJBZABTUOGNM-USQDWSSZSA-NInChI: InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1/i2+1,3+1,7+1,9+1,10+1,13+1
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L -抗坏血酸分子式: C6H8O6 分子量: 176.12IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-oneSMILES: OC([C@]([C@@H](O)CO)([H])O1)=C(O)C1=OInChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-NInChI: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
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L-缬氨酸-¹³C₅CAS号 : 55443-52-2分子式: (13CH3)213CH13CH(NH2)13COOH 分子量: 122.11SMILES: [13CH3][13CH]([13CH3])[13C@H](N)[13C](O)=OInChIKey: KZSNJWFQEVHDMF-JRGPAWSWSA-NInChI: 1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1
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柠檬酸-¹³C₆CAS号 : 287389-42-8 Compound CID : 16217547分子式: HO13C(13CO2H)(13CH213CO2H)2 分子量: 198.08IUPAC Name: 2-hydroxy(1,2,3-13C3)propane-1,2,3-tricarboxylic acidSMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)OInChIKey: KRKNYBCHXYNGOX-IDEBNGHGSA-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+1,3+1,4+1,5+1,6+1
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雌三醇-2,3,4-¹³C₃CAS号 : 1255639-56-5 Compound CID : 71311007分子式: C18H24O3 分子量: 291.36IUPAC Name: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triolSMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OInChIKey: PROQIPRRNZUXQM-FDFADMNFSA-NInChI: InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1/i3+1,8+1,11+1
