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盐酸硫胺分子式: C12H18Cl2N4OS 分子量: 337.27IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochlorideSMILES: CC1=NC(N)=C(C[N+]2=CSC(CCO)=C2C)C=N1.Cl.[Cl-]InChIKey: DPJRMOMPQZCRJU-UHFFFAOYSA-MInChI: 1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1
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L-色氨酸分子式: C11H12N2O2 分子量: 204.23IUPAC Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NInChIKey: QIVBCDIJIAJPQS-VIFPVBQESA-NInChI: 1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
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蓖麻油分子式: C57H104O9 分子量: 933.44IUPAC Name: 2,3-bis[[(Z)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z)-12-hydroxyoctadec-9-enoateSMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)OC(=O)CCCCCCCC=CCC(CCCCCC)O)OInChIKey: ZEMPKEQAKRGZGQ-AAKVHIHISA-NInChI: See more
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葡萄糖酸钙盐 一水合物CAS号: 66905-23-5分子式: C12H22CaO14·H2O 分子量: 448.39IUPAC Name: calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;hydrateSMILES: O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Ca]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COInChIKey: XLNFVCRGJZBQGX-XRDLMGPZSA-LInChI: 1S/2C6H12O7.Ca.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t2*2-,3-,4+,5-;;/m11../s1
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L-半胱氨酸盐酸盐 一水合物分子式: C3H8ClNO2S.H2O 分子量: 175.63IUPAC Name: (2R)-2-amino-3-sulfanylpropanoic acid;hydrate;hydrochlorideSMILES: O.Cl.N[C@@H](CS)C(O)=OInChIKey: QIJRTFXNRTXDIP-JIZZDEOASA-NInChI: 1S/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2/t2-;;/m0../s1
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叶酸CAS号: 59-30-3分子式: C19H19N7O6 分子量: 441.4IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acidSMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)NInChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-NInChI: 1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
