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牛胆CAS号: 8008-63-7IUPAC Name: 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acidSMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CInChIKey: BHQCQFFYRZLCQQ-UHFFFAOYSA-NInChI: 1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)
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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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双甘氨肽盐酸盐一水合物CAS号: 13059-60-4分子式: C4H8N2O3·HCl·H2O 分子量: 186.6IUPAC Name: 2-[(2-aminoacetyl)amino]acetic acid;hydrochlorideSMILES: C(C(=O)NCC(=O)O)N.ClInChIKey: YHBAZQDEMYQPJL-UHFFFAOYSA-NInChI: 1S/C4H8N2O3.ClH/c5-1-3(7)6-2-4(8)9;/h1-2,5H2,(H,6,7)(H,8,9);1H
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