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小分子和化合物库
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L-甲硫氨酸-(甲基-¹³C,d₃)CAS号: 73488-65-0分子式: 13CD3SCH2CH2CH(NH2)CO2H 分子量: 153.22IUPAC Name: (2S)-2-amino-4-(trideuterio(113C)methylsulfanyl)butanoic acidSMILES: [2H][13C]([2H])([2H])SCC[C@H](N)C(O)=OInChIKey: FFEARJCKVFRZRR-ZIHWZSJBSA-NInChI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1D3
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β-烟酰胺腺嘌呤二核苷酸 水合物分子式: C21H27N7O14P2 · xH2O 分子量: 663.43 (anhydrous basis)IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphateSMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)NInChIKey: BAWFJGJZGIEFAR-NNYOXOHSSA-NInChI: See more
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金霉素盐酸盐 盐酸盐分子式: C22H23ClN2O8·HCL 分子量: 515.34IUPAC Name: (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochlorideSMILES: Cl.CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)OInChIKey: QYAPHLRPFNSDNH-MRFRVZCGSA-NInChI: 1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15-,21-,22-;/m0./s1
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5香叶氧基-7-甲氧基香豆素IUPAC Name: 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxychromen-2-oneSMILES: CC(=CCCC(=CCOC1=CC(=CC2=C1C=CC(=O)O2)OC)C)CInChIKey: WXUOSNJWDJOHGW-XNTDXEJSSA-NInChI: 1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-18-12-16(22-4)13-19-17(18)8-9-20(21)24-19/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
