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α-倒捻子素分子式: C24H26O6 分子量: 410.46IUPAC Name: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-oneSMILES: CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)CInChIKey: GNRIZKKCNOBBMO-UHFFFAOYSA-NInChI: 1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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雷帕霉素CAS号: 53123-88-9分子式: C51H79NO13 分子量: 914.19IUPAC Name: See more
SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OCInChIKey: QFJCIRLUMZQUOT-HPLJOQBZSA-NInChI: See more -
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联苯苄唑CAS号: 60628-96-8分子式: C22H18N2 分子量: 310.39IUPAC Name: 1-[phenyl-(4-phenylphenyl)methyl]imidazoleSMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4InChIKey: OCAPBUJLXMYKEJ-UHFFFAOYSA-NInChI: 1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
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盐酸布替萘芬CAS号: 101827-46-7 EC号: 642-354-4分子式: C23H27N·HCl 分子量: 353.93IUPAC Name: 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine;hydrochlorideSMILES: CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32.ClInChIKey: LJBSAUIFGPSHCN-UHFFFAOYSA-NInChI: 1S/C23H27N.ClH/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20;/h5-15H,16-17H2,1-4H3;1H
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木犀草苷分子式: C21H20O11 分子量: 448.38IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)OInChIKey: PEFNSGRTCBGNAN-QNDFHXLGSA-NInChI: 1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
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克霉唑CAS号: 23593-75-1 EC号: 245-764-8分子式: C22H17ClN2 分子量: 344.84IUPAC Name: 1-[(2-chlorophenyl)-diphenylmethyl]imidazoleSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4InChIKey: VNFPBHJOKIVQEB-UHFFFAOYSA-NInChI: 1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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盐酸阿莫洛芬CAS号: 78613-38-4分子式: C21H35NO·HCl 分子量: 353.97IUPAC Name: (2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;hydrochlorideSMILES: CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2CC(OC(C2)C)C.ClInChIKey: XZKWIPVTHGWDCF-KUZYQSSXSA-NInChI: 1S/C21H35NO.ClH/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22;/h8-11,16-18H,7,12-15H2,1-6H3;1H/t16?,17-,18+;
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埃博霉素BCAS号: 152044-54-7分子式: C27H41NO6S 分子量: 507.68IUPAC Name: (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dioneSMILES: CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)CInChIKey: QXRSDHAAWVKZLJ-PVYNADRNSA-NInChI: See more
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硝酸益康唑分子式: C18H15Cl3N2O·HNO3 分子量: 444.7IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acidSMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]InChIKey: DDXORDQKGIZAME-UHFFFAOYSA-NInChI: 1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
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2'-羟基查尔酮分子式: C6H5CH=CHCOC6H4OH 分子量: 224.25IUPAC Name: (E)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-oneSMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2OInChIKey: AETKQQBRKSELEL-ZHACJKMWSA-NInChI: 1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+
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伊曲康唑CAS号: 84625-61-6分子式: C35H38Cl2N8O4 分子量: 705.63IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-oneSMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)ClInChIKey: VHVPQPYKVGDNFY-UHFFFAOYSA-NInChI: See more
