小分子和化合物库
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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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二岩藻糖基-对-乳-N-六糖CAS号: 64309-01-9 Compound CID : 5219625分子式: C52H88N2O39 分子量: 1365.25IUPAC Name: See moreSMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C)OC4C(C(OC(C4O)OC5C(OC(C(C5OC6C(C(C(C(O6)C)O)O)O)NC(=O)C)OC7C(C(OC(C7O)OC(C(CO)O)C(C(C=O)O)O)CO)O)CO)CO)O)CO)O)O)OInChIKey: BCUMESVDMXHZRL-UHFFFAOYSA-NInChI: See more
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茜素紫CAS号: 2103-64-2分子式: C20H12O7 分子量: 364.3IUPAC Name: 3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-oneSMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)OInChIKey: PHLYOKFVXIVOJC-UHFFFAOYSA-NInChI: 1S/C20H12O7/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,21-24H
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4-氧代-5-苯基戊酸CAS号: 3183-15-1分子式: C11H12O3 分子量: 192.21IUPAC Name: 4-oxo-5-phenylpentanoic acidSMILES: C1=CC=C(C=C1)CC(=O)CCC(=O)OInChIKey: LTNSOYZGFPWHOF-UHFFFAOYSA-NInChI: 1S/C11H12O3/c12-10(6-7-11(13)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)
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7-羟基-6-甲氧基二氢黄酮醇CAS号: 34050-66-3分子式: C16H14O5 分子量: 286.28IUPAC Name: (2R,3R)-3,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-oneSMILES: COC1=C(C=C2C(=C1)C(=O)C(C(O2)C3=CC=CC=C3)O)OInChIKey: GUMFPOIJOXLCLA-JKSUJKDBSA-NInChI: 1S/C16H14O5/c1-20-13-7-10-12(8-11(13)17)21-16(15(19)14(10)18)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3/t15-,16+/m0/s1
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头骨黄酮IICAS号: 55084-08-7 Compound CID : 124211分子式: C19H18O8 分子量: 374.34IUPAC Name: 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxychromen-4-oneSMILES: COC1=CC=CC(=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OInChIKey: GMQFOKBGMKVUQZ-UHFFFAOYSA-NInChI: 1S/C19H18O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3
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奇普卡辛DCAS号: 948574-00-3分子量: 422.39SMILES: O=C(C1=C(C=C(C=C1C)OC)OC)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N(C(N3)=O)C=CC3=O)COInChIKey: LQYPUZKOEZWGBX-BASLNEPJSA-NInChI: 1S/C19H22N2O9/c1-9-6-10(27-2)7-11(28-3)14(9)18(25)30-16-12(8-22)29-17(15(16)24)21-5-4-13(23)20-19(21)26/h4-7,12,15-17,22,24H,8H2,1-3H3,(H,20,23,26)/t12-,15-,16-,17-/m1/s1
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