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二十烷酸-d₃₉酸CAS号: 39756-32-6分子式: CD3(CD2)18COOH 分子量: 351.77IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-nonatriacontadeuterioicosanoic acidSMILES: CCCCCCCCCCCCCCCCCCCC(=O)OInChIKey: VKOBVWXKNCXXDE-BKDZISOFSA-NInChI: 1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2
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6-(4-乙酰胺基-1,8-萘酰胺基)己酸CAS号: 172227-59-7分子式: C20H20N2O5 分子量: 368.38IUPAC Name: 6-(6-acetamido-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoic acidSMILES: CC(=O)NC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCCCC(=O)OInChIKey: RCZAYEHQRFPFSH-UHFFFAOYSA-NInChI: 1S/C20H20N2O5/c1-12(23)21-16-10-9-15-18-13(16)6-5-7-14(18)19(26)22(20(15)27)11-4-2-3-8-17(24)25/h5-7,9-10H,2-4,8,11H2,1H3,(H,21,23)(H,24,25)
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哌拉西林钠CAS号: 59703-84-3 EC号: 261-868-6分子式: C23H26N5NaO7S 分子量: 539.54IUPAC Name: sodium;(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]InChIKey: WCMIIGXFCMNQDS-IDYPWDAWSA-MInChI: See more
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D -色氨酸苄酯盐酸盐CAS号: 22839-16-3分子式: C18H18N2O2·HCl 分子量: 330.81IUPAC Name: benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochlorideSMILES: C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N.ClInChIKey: DOKDMGOWZOTZRA-PKLMIRHRSA-NInChI: 1S/C18H18N2O2.ClH/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17;/h1-9,11,16,20H,10,12,19H2;1H/t16-;/m1./s1
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2,3-二氢-2-螺-4'-[8'-氨基萘-1'(4'H)-酮]呸啶(含 o-型)CAS号: 851768-63-3分子式: C20H15N3O 分子量: 313.36IUPAC Name: 8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-oneSMILES: C1=CC2=C3C(=C1)NC4(C=CC(=O)C5=C4C=CC=C5N)NC3=CC=C2InChIKey: GEUHINMXSZXTFV-UHFFFAOYSA-NInChI: 1S/C20H15N3O/c21-14-7-3-6-13-19(14)17(24)10-11-20(13)22-15-8-1-4-12-5-2-9-16(23-20)18(12)15/h1-11,22-23H,21H2
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5-(二乙氧基磷酰)-5-甲基-1-吡咯啉 N-氧化物CAS号: 157230-67-6分子式: C9H18NO4P 分子量: 235.22IUPAC Name: 2-diethoxyphosphoryl-2-methyl-1-oxido-3,4-dihydropyrrol-1-iumSMILES: CCOP(=O)(C1(CCC=[N+]1[O-])C)OCCInChIKey: OKCDBZSDRSXFIB-UHFFFAOYSA-NInChI: 1S/C9H18NO4P/c1-4-13-15(12,14-5-2)9(3)7-6-8-10(9)11/h8H,4-7H2,1-3H3
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5-乙炔基-2'-脱氧胞苷CAS号: 69075-47-4分子式: C11H13N3O4 分子量: 251.24IUPAC Name: 4-amino-5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-oneSMILES: C#CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)OInChIKey: HMJSYXIPNSASJY-DJLDLDEBSA-NInChI: 1S/C11H13N3O4/c1-2-6-4-14(11(17)13-10(6)12)9-3-7(16)8(5-15)18-9/h1,4,7-9,15-16H,3,5H2,(H2,12,13,17)/t7-,8+,9+/m0/s1
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N-己酰-D-葡萄糖胺CAS号: 19817-88-0 Compound CID : 22896151分子式: C12H23NO6 分子量: 277.32IUPAC Name: N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]hexanamideSMILES: CCCCCC(=O)NC(C=O)C(C(C(CO)O)O)OInChIKey: QLZZYPWIRVQENX-LUTQBAROSA-NInChI: 1S/C12H23NO6/c1-2-3-4-5-10(17)13-8(6-14)11(18)12(19)9(16)7-15/h6,8-9,11-12,15-16,18-19H,2-5,7H2,1H3,(H,13,17)/t8-,9+,11+,12+/m0/s1
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N-苯甲酰基-D-氨基葡萄糖分子式: C13H17NO6 分子量: 283.28IUPAC Name: N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamideSMILES: C1=CC=C(C=C1)C(=O)NC(C=O)C(C(C(CO)O)O)OInChIKey: QCYHKZRHOGVACA-IRCOFANPSA-NInChI: 1S/C13H17NO6/c15-6-9(11(18)12(19)10(17)7-16)14-13(20)8-4-2-1-3-5-8/h1-6,9-12,16-19H,7H2,(H,14,20)/t9-,10+,11+,12+/m0/s1
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2,3,4,6-四-O-乙酰基-β-D-吡喃葡萄糖基2,2,2-三氯乙酰亚胺酯CAS号: 92052-29-4 Compound CID : 11038322分子式: C16H20Cl3NO10 分子量: 492.68IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetateSMILES: CC(=O)OCC1C(C(C(C(O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)CInChIKey: IBUZGVQIKARDAF-RGDJUOJXSA-NInChI: 1S/C16H20Cl3NO10/c1-6(21)25-5-10-11(26-7(2)22)12(27-8(3)23)13(28-9(4)24)14(29-10)30-15(20)16(17,18)19/h10-14,20H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
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