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D -葡萄糖-1-¹³CCAS号 : 40762-22-9 Compound CID : 12285878分子式: 13CC5H12O6 分子量: 181.15IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-USBRANDWSA-NInChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i6+1
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ML-9,蛋白激酶抑制剂CAS号 : 105637-50-1 Compound CID : 108047分子式: C15H17N2O2SCl · HCl 分子量: 361.29IUPAC Name: 1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane;hydrochlorideSMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl.ClInChIKey: ZNRYCIVTNLZOGI-UHFFFAOYSA-NInChI: InChI=1S/C15H17ClN2O2S.ClH/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18;/h1-2,4-7,17H,3,8-11H2;1H
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双辛基马来酰亚胺 IVCAS号 : 119139-23-0 Compound CID : 2399分子式: C20H13N3O2 分子量: 327.34IUPAC Name: 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dioneSMILES: C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54InChIKey: DQYBRTASHMYDJG-UHFFFAOYSA-NInChI: InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
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碳酰氰 4-(三氟甲氧基)苯腙(FCCP)分子式: CF3OC6H4NHN=C(CN)2 分子量: 254.17IUPAC Name: 2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrileSMILES: C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)FInChIKey: BMZRVOVNUMQTIN-UHFFFAOYSA-NInChI: InChI=1S/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H
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棕榈酸-1-(¹³C)CAS号 : 57677-53-9 Compound CID : 9881577分子式: (13C)C15H32O2 分子量: 257.42IUPAC Name: (113C)hexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-LOYIAQTISA-NInChI: InChI=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)/i16+1
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芍药内酯苷CAS号 : 39011-90-0 Compound CID : 24868421分子式: C23H28O11 分子量: 480.46IUPAC Name: [(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoateSMILES: CC12CC(C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)OInChIKey: QQUHMASGPODSIW-ICECTASOSA-NInChI: InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1
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1-十二烷醇-1-¹³CCAS号 : 88170-32-5分子式: CH3(CH2)1013CH2OH 分子量: 187.33IUPAC Name: (113C)dodecan-1-olSMILES: CCCCCCCCCCCCOInChIKey: LQZZUXJYWNFBMV-HNHCFKFXSA-NInChI: InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3/i12+1
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10-异butyryl氧基-8,9-环氧thymol 异丁酸CAS号 : 22518-06-5分子式: C18H24O5 分子量: 320.38IUPAC Name: [2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoateSMILES: CC1=CC(=C(C=C1)C2(CO2)COC(=O)C(C)C)OC(=O)C(C)CInChIKey: OLARKEMZPWGFJU-UHFFFAOYSA-NInChI: InChI=1S/C18H24O5/c1-11(2)16(19)21-9-18(10-22-18)14-7-6-13(5)8-15(14)23-17(20)12(3)4/h6-8,11-12H,9-10H2,1-5H3
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12-甲氧基鼠尾草酸CAS号 : 62201-71-2分子式: C21H30O4 分子量: 346.46IUPAC Name: (4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acidSMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)OCInChIKey: QQNSARJGBPMQDI-YCRPNKLZSA-NInChI: InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15-,21+/m0/s1
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