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小分子和化合物库
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硫酸奎宁荧光标准物质分子式: C40H48N4O4.H2SO4.2H2O 分子量: 782.95IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrateSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)OInChIKey: ZHNFLHYOFXQIOW-LPYZJUEESA-NInChI: See more
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四螨嗪CAS号: 74115-24-5 EC号: 277-728-2分子式: C14H8Cl2N4 分子量: 303.15IUPAC Name: 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazineSMILES: C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)ClInChIKey: UXADOQPNKNTIHB-UHFFFAOYSA-NInChI: 1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
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L-组氨酸盐酸盐一水物CAS号: 5934-29-2分子式: C6H9N3O2·HCl·H2O 分子量: 209.63IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochlorideSMILES: O.Cl.N[C@@H](Cc1c[nH]cn1)C(O)=OInChIKey: CMXXUDSWGMGYLZ-XRIGFGBMSA-NInChI: 1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2/t5-;;/m0../s1
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NG,NG ′-二甲基-L-精氨酸 二(对羟基偶氮苯对磺酸) 盐CAS号: 1266235-58-8 Compound CID : 72943047分子式: C9H10ClF2NO 分子量: 221.63IUPAC Name: 7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochlorideSMILES: C1COC2=C(C1N)C=CC(=C2F)F.ClInChIKey: UUOXQIUITFURPF-UHFFFAOYSA-NInChI: 1S/C9H9F2NO.ClH/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11;/h1-2,7H,3-4,12H2;1H
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聚肌苷酸-聚胞苷酸 钾盐CAS号: 31852-29-6 Compound CID : 137031716分子式: (C10H13N4O8P)x.(C9H14N3O8P)x.xKSMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O.[K]InChIKey: KHPUABRWHJGXNJ-VRQAYDGLSA-NInChI: See more
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聚肌苷酸-聚胞苷酸 钠盐CAS号: 42424-50-0 Compound CID : 137229713分子式: (C10H13N4O8P)x.(C9H14N3O8P)x.xNaSMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O.[Na]InChIKey: GETQKWBYQAUFQM-VRQAYDGLSA-NInChI: See more
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6-环己基己基β-D-麦芽糖苷CAS号: 228579-27-9 Compound CID : 447688分子式: C24H44O11 分子量: 508.6IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(6-cyclohexylhexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C1CCC(CC1)CCCCCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)OInChIKey: WUCWJXGMSXTDAV-QKMCSOCLSA-NInChI: 1S/C24H44O11/c25-12-15-17(27)18(28)20(30)24(33-15)35-22-16(13-26)34-23(21(31)19(22)29)32-11-7-2-1-4-8-14-9-5-3-6-10-14/h14-31H,1-13H2/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1
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D-糖酸钙四水合物CAS号: 5793-89-5分子式: C6H8CaO8·4H2O 分子量: 320.3IUPAC Name: calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrateSMILES: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.O.O.O.O.[Ca+2]InChIKey: ZQWFSIZRQANUDA-WQMSYZFBSA-LInChI: 1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2-,3-,4+;;;;;/m0...../s1
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L -精氨酸 单盐酸盐分子式: C6H14N4O2·HCl 分子量: 210.66IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochlorideSMILES: Cl[H].N[C@@H](CCCNC(N)=N)C(O)=OInChIKey: KWTQSFXGGICVPE-WCCKRBBISA-NInChI: 1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1
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N-甲酰基-Met-Leu-PheCAS号: 59880-97-6分子式: C21H31N3O5S 分子量: 437.55IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acidSMILES: CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCSC)NC=OInChIKey: PRQROPMIIGLWRP-BZSNNMDCSA-NInChI: 1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1
