小分子和化合物库
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β-谷甾醇乙酸酯(含菜油甾醇乙酸酯)CAS号: 915-05-9分子式: C31H52O2 分子量: 456.76IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateSMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)CInChIKey: PBWOIPCULUXTNY-LBKBYZTLSA-NInChI: 1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
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锡酸钙CAS号: 12013-46-6分子式: CaO3Sn 分子量: 206.77IUPAC Name: calcium;dioxido(oxo)tinSMILES: [O-][Sn](=O)[O-].[Ca+2]InChIKey: HNQGTZYKXIXXST-UHFFFAOYSA-NInChI: 1S/Ca.3O.Sn/q+2;;2*-1;
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铝钴粉CAS号: 11114-55-9分子式: AlCo 分子量: 85.914IUPAC Name: aluminum;cobaltSMILES: [Al].[Co]InChIKey: MDKXFHZSHLHFLN-UHFFFAOYSA-NInChI: 1S/Al.Co
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D -葡萄糖-1-¹³CCAS号: 40762-22-9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: 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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甘氨酸-2-13CCAS号: 20220-62-6分子式: H2N13CH2CO2H 分子量: 76.06IUPAC Name: 2-aminoacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-OUBTZVSYSA-NInChI: 1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1
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