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寡霉素分子式: C45H74O11 分子量: 791.07(for Oligomycin A)IUPAC Name: (1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trioneSMILES: CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)CInChIKey: MNULEGDCPYONBU-WMBHJXFZSA-NInChI: InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1
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阿利马嗪酒石酸盐分子式: C36H44N4S2·C4H6O6 分子量: 746.98IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amineSMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.C(C(C(=O)O)O)(C(=O)O)OInChIKey: AJZJIYUOOJLBAU-CEAXSRTFSA-NInChI: InChI=1S/2C18H22N2S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
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咪多卡二丙酸盐CAS号 : 55750-06-6 Compound CID : 9983292分子式: C19H20N6O·2C3H6O2 分子量: 496.57IUPAC Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;propanoic acidSMILES: CCC(=O)O.CCC(=O)O.C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4InChIKey: AFGQXWSHYUHHNV-UHFFFAOYSA-NInChI: InChI=1S/C19H20N6O.2C3H6O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*1-2-3(4)5/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*2H2,1H3,(H,4,5)
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莫西沙星盐酸盐一水合物CAS号 : 192927-63-2 Compound CID : 9890250分子式: C21H24FN3O4·HCl·H2O 分子量: 437.90(as Anhydrous)IUPAC Name: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrate;hydrochlorideSMILES: COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.O.ClInChIKey: SKZIMSDWAIZNDD-WJMOHVQJSA-NInChI: InChI=1S/C21H24FN3O4.ClH.H2O/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H;1H2/t11-,16+;;/m0../s1
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奥美普林分子式: C14H18N4O2 分子量: 274.32IUPAC Name: 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamineSMILES: CC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OC)OCInChIKey: KEEYRKYKLYARHO-UHFFFAOYSA-NInChI: InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
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