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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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蜕皮激素CAS号: 5289-74-7分子式: C27H44O7 分子量: 480.63IUPAC Name: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-oneSMILES: CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)OInChIKey: NKDFYOWSKOHCCO-YPVLXUMRSA-NInChI: See more
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7-羟基氯丙嗪-d6盐酸盐分子式: C17H13D6ClN2OS • HCl 分子量: 376.59IUPAC Name: 8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-3-olSMILES: CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)ClInChIKey: HICFFJZGXWEIHN-UHFFFAOYSA-NInChI: 1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20/h4-7,10-11,21H,3,8-9H2,1-2H3
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咪鲜安CAS号: 67747-09-5 EC号: 266-994-5分子式: C15H16Cl3N3O2 分子量: 376.67IUPAC Name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamideSMILES: CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2InChIKey: TVLSRXXIMLFWEO-UHFFFAOYSA-NInChI: 1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
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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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磺胺间甲氧嘧啶分子式: C11H12N4O3S 分子量: 280.3IUPAC Name: 4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamideSMILES: COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NInChIKey: WMPXPUYPYQKQCX-UHFFFAOYSA-NInChI: 1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)
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正辛醛-d16CAS号: 1219794-66-7分子式: C8D16O 分子量: 144.31IUPAC Name: 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecadeuteriooctan-1-oneSMILES: CCCCCCCC=OInChIKey: NUJGJRNETVAIRJ-ZEFOBESCSA-NInChI: 1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D
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(-)-来自 Ginkgo biloba 叶的 BilobalideCAS号: 33570-04-6分子式: C15H18O8 分子量: 326.3IUPAC Name: (1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trioneSMILES: CC(C)(C)C1(CC2C3(C14C(C(=O)OC4OC3=O)O)CC(=O)O2)OInChIKey: MOLPUWBMSBJXER-YDGSQGCISA-NInChI: 1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1
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12(S)-羟基-(5Z,8E,10E)-十七碳三烯酸CAS号: 54397-84-1 Compound CID : 5283141分子式: C17H28O3 分子量: 280.4IUPAC Name: (5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acidSMILES: CCCCCC(C=CC=CCC=CCCCC(=O)O)OInChIKey: KUKJHGXXZWHSBG-WBGSEQOASA-NInChI: 1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1
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25-羟基维生素 D₃-26,26,26,27,27,27-d₆ 一水合物CAS号: 2483831-70-3分子量: 424.69SMILES: C[C@]1(CCC/2)C(CCC1[C@H](C)CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])C2=C\\C=C(C[C@@H](O)CC3)/C3=C.[H]O[H]InChIKey: WRLFSJXJGJBFJQ-DZAJWRDGSA-NInChI: See more
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乙酰辅酶 A 锂盐CAS号: 32140-51-5分子式: C23H38N7O17P3S · xLi+ 分子量: 809.57 (free acid basis)IUPAC Name: See more SMILES: [Li+].[Li+].[Li+].CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])OInChIKey: FTRFBNATWBKIQU-JHJDYNLLSA-KInChI: See more
