小分子和化合物库
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                        牛磺胆酸钠 水合物CAS号: 345909-26-4 EC号: 205-653-7分子式: C26H44NNaO7S · xH2O 分子量: 537.68 (anhydrous basis)IUPAC Name: See moreSMILES: [Na+].[H]O[H].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=OInChIKey: RDAJAQDLEFHVNR-NEMAEHQESA-MInChI: See more
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                        芒柄花苷CAS号: 486-62-4分子式: C22H22O9 分子量: 430.4IUPAC Name: 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)OInChIKey: MGJLSBDCWOSMHL-MIUGBVLSSA-NInChI: 1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
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                        N-辛酰基-DL-高丝氨酸内酯CAS号: 106983-30-6分子式: C12H21NO3 分子量: 227.3IUPAC Name: N-(2-oxooxolan-3-yl)octanamideSMILES: CCCCCCCC(=O)NC1CCOC1=OInChIKey: JKEJEOJPJVRHMQ-UHFFFAOYSA-NInChI: 1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)
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                        酸枣仁皂苷 ACAS号: 55466-04-1分子式: C58H94O26 分子量: 1207.35IUPAC Name: See moreSMILES: See moreInChIKey: KVKRFLVYJLIZFD-OQVAHBRNSA-NInChI: See more
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