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小分子和化合物库
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L-组氨酸盐酸盐一水物CAS号: 5934-29-2分子式: C6H9N3O2·HCl·H2O 分子量: 209.63IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochlorideSMILES: O.Cl.N[C@@H](Cc1c[nH]cn1)C(O)=OInChIKey: CMXXUDSWGMGYLZ-XRIGFGBMSA-NInChI: 1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2/t5-;;/m0../s1
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鹅去氧胆酸-¹³C24CAS号: 52918-92-0分子式: C23(13C)H40O4 分子量: 393.56IUPAC Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl](113C)pentanoic acidSMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)CInChIKey: RUDATBOHQWOJDD-NIOAGLPLSA-NInChI: 1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1/i21+1
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17α-羟基孕酮-2,3,4-¹³C₃CAS号: 1356154-92-1分子量: 333.44SMILES: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=[13CH][13C](=O)[13CH2]C[C@]4(C)[C@H]3CC[C@]12CInChIKey: DBPWSSGDRRHUNT-GGSYSODVSA-NInChI: 1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1/i6+1,12+1,15+1
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L -精氨酸 单盐酸盐分子式: C6H14N4O2·HCl 分子量: 210.66IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochlorideSMILES: Cl[H].N[C@@H](CCCNC(N)=N)C(O)=OInChIKey: KWTQSFXGGICVPE-WCCKRBBISA-NInChI: 1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1
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乙二胺四乙酸 二钠盐 二水合物分子式: C10H14N2Na2O8·2H2O 分子量: 372.24IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrateSMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[Na+].[Na+]InChIKey: OVBJJZOQPCKUOR-UHFFFAOYSA-LInChI: 1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
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棕榈酸-¹³C₁₆CAS号: 56599-85-0分子式: (13C)16H32O2 分子量: 272.31IUPAC Name: (1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C16)hexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-BZDICNBSSA-NInChI: 1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1
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