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小分子和化合物库
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氢化肉桂酸-2,3-¹³C₂CAS号: 286367-71-3分子式: C6H513CH213CH2CO2H 分子量: 152.16IUPAC Name: 3-phenyl(2,3-13C2)propanoic acidSMILES: C1=CC=C(C=C1)CCC(=O)OInChIKey: XMIIGOLPHOKFCH-AKZCFXPHSA-NInChI: 1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)/i6+1,7+1
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甘氨酸-1-¹³CCAS号: 20110-59-2分子式: H2NCH213CO2H 分子量: 76.06IUPAC Name: 2-aminoacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-VQEHIDDOSA-NInChI: 1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i2+1
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甘油-1,3-¹³C₂CAS号: 102088-01-7分子式: (HO13CH2)2CHOH 分子量: 94.08IUPAC Name: (1,3-13C2)propane-1,2,3-triolSMILES: C(C(CO)O)OInChIKey: PEDCQBHIVMGVHV-ZDOIIHCHSA-NInChI: 1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1+1,2+1
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甘油-2-¹³CCAS号: 82425-96-5分子式: C213CH8O3 分子量: 93.09IUPAC Name: (213C)propane-1,2,3-triolSMILES: C(C(CO)O)OInChIKey: PEDCQBHIVMGVHV-LBPDFUHNSA-NInChI: 1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i3+1
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甘油-¹³C₃CAS号: 63346-81-6分子式: (HO13CH2)213CHOH 分子量: 95.07IUPAC Name: (1,2,3-13C3)propane-1,2,3-triolSMILES: C(C(CO)O)OInChIKey: PEDCQBHIVMGVHV-VMIGTVKRSA-NInChI: 1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1+1,2+1,3+1
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肌酐-(甲基-¹³C)CAS号: 1173022-95-1分子式: C4H7N3O 分子量: 114.11IUPAC Name: 2-amino-3-(113C)methyl-4H-imidazol-5-oneSMILES: CN1CC(=O)N=C1NInChIKey: DDRJAANPRJIHGJ-OUBTZVSYSA-NInChI: 1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)/i1+1
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苯甲酸-(苯基-¹³C₆)CAS号: 125945-98-4分子式: 13C6H5CO2H 分子量: 128.08IUPAC Name: (1,2,3,4,5,6-13C6)cyclohexatrienecarboxylic acidSMILES: C1=CC=C(C=C1)C(=O)OInChIKey: WPYMKLBDIGXBTP-IDEBNGHGSA-NInChI: 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1+1,2+1,3+1,4+1,5+1,6+1
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醋酸-¹³C₂CAS号: 16651-47-1分子式: 13C2H4O2 分子量: 62.04IUPAC Name: acetic acidSMILES: CC(=O)OInChIKey: QTBSBXVTEAMEQO-ZDOIIHCHSA-NInChI: 1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1+1,2+1
