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棕榈酸-¹³C₁₆CAS号 : 56599-85-0 Compound CID : 16217538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: 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)/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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吖啶橙分子式: C17H19N3 分子量: 265.35IUPAC Name: 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamineSMILES: CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)CInChIKey: DPKHZNPWBDQZCN-UHFFFAOYSA-NInChI: InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3
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5-磷酰核糖-1-焦磷酸钠盐CAS号 : 108321-05-7 Compound CID : 92043170分子式: C5H8Na5O14P3 分子量: 499.98IUPAC Name: tetrasodium;[[(3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphoryl]oxymethyl]oxolan-2-yl]oxy-oxidophosphoryl] phosphateSMILES: C(C1C(C(C(O1)OP(=O)([O-])OP(=O)([O-])[O-])O)O)OP(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+]InChIKey: QZAPPJHVNYCTAX-CKJQBBATSA-JInChI: InChI=1S/C5H13O14P3.4Na/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13;;;;/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-4/t2-,3-,4-,5?;;;;/m1..../s1
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SQ-NHSCAS号 : 154161-81-6 Compound CID : 5095317分子式: C34H32ClN3O6 分子量: 614.09IUPAC Name: 4-[(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-ethyl-3,3-dimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olateSMILES: CCN1C2=C(C=C(C=C2)C(=O)ON3C(=O)CCC3=O)C(C1=CC4=C(C(=CC5=[N+](C6=C(C5(C)C)C=C(C=C6)Cl)C)C4=O)[O-])(C)CInChIKey: RRLJXAKQFSXTLC-UHFFFAOYSA-NInChI: InChI=1S/C34H32ClN3O6/c1-7-37-25-10-8-18(32(43)44-38-28(39)12-13-29(38)40)14-22(25)34(4,5)27(37)17-21-30(41)20(31(21)42)16-26-33(2,3)23-15-19(35)9-11-24(23)36(26)6/h8-11,14-17H,7,12-13H2,1-6H3
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S-(5′-腺苷)-L-甲硫氨酸氯化物 二盐酸盐CAS号 : 86867-01-8 Compound CID : 71307500分子式: C15H23ClN6O5S · 2 HCl 分子量: 507.82IUPAC Name: [(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;chloride;dihydrochlorideSMILES: C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.Cl.Cl.[Cl-]InChIKey: KBAFOJZCBYWKPU-XQVUROGGSA-NInChI: InChI=1S/C15H22N6O5S.3ClH/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;;;/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);3*1H/t7-,8+,10+,11+,14+,27?;;;/m0.../s1
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松香酸分子式: C20H30O2 分子量: 302.45IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acidSMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)CInChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-NInChI: InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
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辅酶 A,三锂盐,水合物CAS号 : 18439-24-2 Compound CID : 16219106分子式: C21H33N7O16P3S • XLi [XH2O] 分子量: 764.5(free basis)IUPAC Name: trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphateSMILES: [Li+].[Li+].[Li+].CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCS)OInChIKey: QSCBPHBAFBVXRK-HJKJOZROSA-KInChI: InChI=1S/C21H36N7O16P3S.3Li/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;;;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);;;/q;3*+1/p-3/t11-,14-,15-,16?,20-;;;/m1.../s1
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分散黄7分子式: C19H16N4O 分子量: 316.36IUPAC Name: 2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenolSMILES: CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3)OInChIKey: VGKYEIFFSOPYEW-UHFFFAOYSA-NInChI: InChI=1S/C19H16N4O/c1-14-13-18(11-12-19(14)24)23-22-17-9-7-16(8-10-17)21-20-15-5-3-2-4-6-15/h2-13,24H,1H3
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聚半乳糖醛酸钠盐分子式: C18H23NaO19-2 分子量: 566.4IUPAC Name: sodium;(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxylato-6-[(2S,3R,4R,5R,6S)-2-carboxylato-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylateSMILES: C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)[O-])OC3C(C(C(OC3C(=O)[O-])O)O)O)O)O)C(=O)[O-])O)O.[Na+]InChIKey: NUCACHWVTZGFJN-PYSZDIKSSA-KInChI: InChI=1S/C18H26O19.Na/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29;/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31);/q;+1/p-3/t1-,2+,3+,4+,5+,6+,7+,8+,9+,10-,11-,12-,16-,17-,18-;/m0./s1
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胸苷-5′-二二氧磷基-α-D-葡萄糖二钠盐CAS号 : 148296-43-9 Compound CID : 71308773分子式: C16H2N2O16P2・2Na 分子量: 608.29IUPAC Name: disodium;[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphateSMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)([O-])OP(=O)([O-])OC3C(C(C(C(O3)CO)O)O)O)O.[Na+].[Na+]InChIKey: PPAHWQWZRRHSCD-QMMSDIQLSA-LInChI: InChI=1S/C16H26N2O16P2.2Na/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15;;/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25);;/q;2*+1/p-2/t7-,8+,9+,10+,11+,12-,13+,15+;;/m0../s1
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N-(1-羧乙基)亚氨基二乙酸三钠CAS号 : 164462-16-2 Compound CID : 11021984分子式: C7H8NNa3O6 分子量: 271.11IUPAC Name: trisodium;2-[bis(carboxylatomethyl)amino]propanoateSMILES: CC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]InChIKey: OHOTVSOGTVKXEL-UHFFFAOYSA-KInChI: InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3