小分子和化合物库
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alpha-1,3/4-Fucosyltransferase (α1,3/4FucT)CAS号: 37277-69-3SMILES: [alpha-1,3/4-Fucosyltransferase]
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PaeoniflorgeninCAS号: 697300-41-7 Compound CID : 154925992分子式: C17H18O6 分子量: 318.32IUPAC Name: [(2S,3S,5R,6R,8S)-3,6-dihydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoateSMILES: CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)O)OInChIKey: GWQHMWOOQLVRLG-BZEIYFPWSA-NInChI: 1S/C17H18O6/c1-14-8-16(19)11-7-17(14,20)15(11,13(22-14)23-16)9-21-12(18)10-5-3-2-4-6-10/h2-6,11,13,19-20H,7-9H2,1H3/t11-,13?,14+,15+,16-,17-/m1/s1
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1,3,6三羟基2甲基蒽醌-3-O-(6'-O-乙酰基)-新橙皮糖苷CAS号: 87686-87-1 Compound CID : 70698136IUPAC Name: [(2R,3S,4S,5R,6S)-6-(4,7-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetateSMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(C(=C4C(=C3)C(=O)C5=C(C4=O)C=CC(=C5)O)O)C)COC(=O)C)O)O)O)O)OInChIKey: MYMGMMVFIFXMSB-TUABHHCTSA-NInChI: See more
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贝母素乙CAS号: 18059-10-4分子式: C27H43NO3 分子量: 429.64IUPAC Name: (1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-oneSMILES: CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)OInChIKey: IQDIERHFZVCNRZ-YUYPDVIUSA-NInChI: 1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,25-,26+,27-/m0/s1
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2'-脱氧-6-O-甲基-鸟苷分子式: C11H15N5O4 分子量: 281.27IUPAC Name: (2R,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-olSMILES: COC1=NC(=NC2=C1N=CN2C3CC(C(O3)CO)O)NInChIKey: BCKDNMPYCIOBTA-RRKCRQDMSA-NInChI: 1S/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1
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铁锈醇CAS号: 514-62-5分子式: C20H30O 分子量: 286.45IUPAC Name: (4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-olSMILES: CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)OInChIKey: QXNWVJOHUAQHLM-AZUAARDMSA-NInChI: 1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1
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甲磺酸氨氯地平CAS号: 246852-12-0 Compound CID : 10300874分子式: C21H29ClN2O8S 分子量: 504.99IUPAC Name: 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate;methanesulfonic acidSMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.CS(=O)(=O)OInChIKey: MUVFCHUBATVFPP-UHFFFAOYSA-NInChI: 1S/C20H25ClN2O5.CH4O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;1-5(2,3)4/h5-8,17,23H,4,9-11,22H2,1-3H3;1H3,(H,2,3,4)
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甲环素CAS号: 914-00-1分子式: C22H22N2O8 分子量: 442.42IUPAC Name: (4S,4aR,5S,5aR,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamideSMILES: CN(C)C1C2C(C3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)OInChIKey: XIYOPDCBBDCGOE-IWVLMIASSA-NInChI: 1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25-27,30,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1
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1,2-二十二烷酰基-sn-甘油-3-磷酸胆碱CAS号: 95416-27-6分子式: C46H92NO8P 分子量: 818.198IUPAC Name: [(2R)-2,3-di(nonadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCInChIKey: CJXPNBSAXZBLEC-USYZEHPZSA-NInChI: See more
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1-硬脂酰基-2-棕榈酰基-sn-甘油-3-磷酸胆碱CAS号: 59403-53-1 Compound CID : 18631368分子式: C42H84NO8P 分子量: 762.092IUPAC Name: [(2R)-2-hexadecanoyloxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCInChIKey: BYSIMVBIJVBVPA-RRHRGVEJSA-NInChI: 1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
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