小分子和化合物库
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D-葡萄糖醛酸钠盐一水合物CAS号: 207300-70-7 Compound CID : 24892836分子式: C6H11NaO8 分子量: 234.14IUPAC Name: sodium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate;hydrateSMILES: C(=O)C(C(C(C(C(=O)[O-])O)O)O)O.O.[Na+]InChIKey: ICQRTPLATMRWJI-JLWXJWIASA-MInChI: 1S/C6H10O7.Na.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h1-5,8-11H,(H,12,13);;1H2/q;+1;/p-1/t2-,3+,4-,5-;;/m0../s1
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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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α-酮戊二酸钠 钠盐CAS号: 22202-68-2 EC号: 244-836-6分子式: HOOCCH2CH2COCOONa 分子量: 168.08IUPAC Name: sodium;5-hydroxy-2,5-dioxopentanoateSMILES: C(CC(=O)O)C(=O)C(=O)[O-].[Na+]InChIKey: MOTOGHHLNTXPTI-UHFFFAOYSA-MInChI: 1S/C5H6O5.Na/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);/q;+1/p-1
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