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D-糖酸钙四水合物分子式: C6H8CaO8·4H2O 分子量: 320.3IUPAC Name: calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrateSMILES: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.O.O.O.O.[Ca+2]InChIKey: ZQWFSIZRQANUDA-WQMSYZFBSA-LInChI: InChI=1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2-,3-,4+;;;;;/m0...../s1
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L-丙氨酸-2-¹³C,¹⁵NCAS号 : 285977-86-8 Compound CID : 12205390分子式: CH313CH(15NH2)CO2H 分子量: 91.08IUPAC Name: (2R)-2-(15N)azanyl(213C)propanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-GMWHYDPQSA-NInChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1/i2+1,4+1
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普罗布考-丙酰基-¹³C3CAS号 : 1173019-29-8分子式: ¹³C3C28H48O2S2 分子量: 519.82SMILES: CC(C)(C)c1cc(S[13C]([13CH3])([13CH3])Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)CInChIKey: FYPMFJGVHOHGLL-DGVNISHSSA-NInChI: 1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3/i13+1,14+1,31+1
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甘氨酸-2-¹³C,¹⁵NCAS号 : 91795-59-4 Compound CID : 11320906分子式: H215N13CH2CO2H 分子量: 77.05IUPAC Name: 2-(15N)azanylacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-ZKDXJZICSA-NInChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1,3+1
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胍-¹³C,¹⁵N₃盐酸盐CAS号 : 285977-73-3 Compound CID : 16217553分子式: 13CH6Cl¹⁵N3 分子量: 99.5IUPAC Name: (13C)guanidine;hydrochlorideSMILES: C(=N)(N)N.ClInChIKey: PJJJBBJSCAKJQF-UJNKEPEOSA-NInChI: InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H/i1+1,2+1,3+1,4+1;