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L-刀豆氨酸硫酸盐分子式: C5H12N4O3·H2SO4·xH2O 分子量: 274.25(as Anhydrous)IUPAC Name: (2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid;sulfuric acidSMILES: C(CON=C(N)N)C(C(=O)O)N.OS(=O)(=O)OInChIKey: MVIPJKVMOKFIEV-DFWYDOINSA-NInChI: InChI=1S/C5H12N4O3.H2O4S/c6-3(4(10)11)1-2-12-9-5(7)8;1-5(2,3)4/h3H,1-2,6H2,(H,10,11)(H4,7,8,9);(H2,1,2,3,4)/t3-;/m0./s1
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头孢美唑钠CAS号 : 56796-39-5 Compound CID : 23666711分子式: C15H16N7NaO5S3 分子量: 493.51IUPAC Name: sodium;(6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)[O-].[Na+]InChIKey: BITQGIOJQWZUPL-PBCQUBLHSA-MInChI: InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1
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1,3-丙二磺酸二钠CAS号 : 36589-58-9分子式: C3H6Na2O6S2 分子量: 248.17IUPAC Name: disodium;propane-1,3-disulfonateSMILES: C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+]InChIKey: DKGJFKPIUSHDIT-UHFFFAOYSA-LInChI: InChI=1S/C3H8O6S2.2Na/c4-10(5,6)2-1-3-11(7,8)9;;/h1-3H2,(H,4,5,6)(H,7,8,9);;/q;2*+1/p-2
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BpV(HOpic)CAS号 : 722494-26-0 Compound CID : 54692867分子式: C6H4K2NO8V 分子量: 347.24SMILES: [K]OC(=O)C1=CC=C(O)C=[N]1[V]23(O[K])(OO2)OO3
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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-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
