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3,5,7,8-四氢-2-甲基-4H-硫代吡喃并[4,3-D]嘧啶-4-酮CAS号 : 284028-90-6 Compound CID : 135522417分子式: C8H10N2OS 分子量: 182.24IUPAC Name: 2-methyl-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-oneSMILES: CC1=NC2=C(CSCC2)C(=O)N1InChIKey: HRYKZAKEAVZGJD-UHFFFAOYSA-NInChI: InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
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法舒地尔CAS号 : 103745-39-7 Compound CID : 3547分子式: C14H17N3O2S 分子量: 291.37IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinolineSMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3InChIKey: NGOGFTYYXHNFQH-UHFFFAOYSA-NInChI: InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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离子霉素钙盐CAS号 : 56092-82-1分子式: C41H70CaO9 分子量: 747.07IUPAC Name: calcium;(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-19,21-dihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoateSMILES: CC(CCC(=O)[O-])CC(C)CC(C)C(=O)C=C(C(C)CC(C)CC=CC(C)C(C(C)C(CC1CCC(O1)(C)C2CCC(O2)(C)C(C)O)O)O)[O-].[Ca+2]InChIKey: WKRWUYKLUMMAKG-WYGBAUISSA-LInChI: InChI=1S/C41H72O9.Ca/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42;/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47);/q;+2/p-2/b13-11+,34-24-;/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+;/m1./s1
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淫羊藿素CAS号 : 118525-40-9 Compound CID : 5318980分子式: C21H20O6 分子量: 368.38IUPAC Name: 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-oneSMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)CInChIKey: TUUXBSASAQJECY-UHFFFAOYSA-NInChI: InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
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离子霉素CAS号 : 56092-81-0分子式: C41H72O9 分子量: 709.01IUPAC Name: (4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acidSMILES: CC(CCC(=O)O)CC(C)CC(C)C(=O)C=C(C(C)CC(C)CC=CC(C)C(C(C)C(CC1CCC(O1)(C)C2CCC(O2)(C)C(C)O)O)O)OInChIKey: PGHMRUGBZOYCAA-ADZNBVRBSA-NInChI: InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47)/b13-11+,34-24-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1
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3',4'-二甲氧基黄酮分子式: C17H14O4 分子量: 282.3IUPAC Name: 2-(3,4-dimethoxyphenyl)chromen-4-oneSMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)OCInChIKey: ZGHORMOOTZTQFL-UHFFFAOYSA-NInChI: InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3
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吡贝地尔分子式: C16H18N4O2 分子量: 298.35IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidineSMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4InChIKey: OQDPVLVUJFGPGQ-UHFFFAOYSA-NInChI: InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
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