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NucleozinCAS号: 341001-38-5分子式: C21H19ClN4O4 分子量: 426.85IUPAC Name: [4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanoneSMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])ClInChIKey: OWXBJAPOSQSWAO-UHFFFAOYSA-NInChI: 1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3
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无活菌素 来源于灰色链霉菌变种CAS号: 6833-84-7分子式: C40H64O12 分子量: 736.93 (for Nonactin)IUPAC Name: (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetroneSMILES: CC1CC2CCC(O2)C(C(=O)OC(CC3CCC(O3)C(C(=O)OC(CC4CCC(O4)C(C(=O)OC(CC5CCC(O5)C(C(=O)O1)C)C)C)C)C)C)CInChIKey: RMIXHJPMNBXMBU-QIIXEHPYSA-NInChI: See more
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金丝桃素分子式: C30H16O8 分子量: 504.44IUPAC Name: 9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dioneSMILES: CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)OInChIKey: YDOIFHVUBCIUHF-UHFFFAOYSA-NInChI: 1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3
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金丝桃素分子式: C30H16O8 分子量: 504.44IUPAC Name: 9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dioneSMILES: CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)OInChIKey: YDOIFHVUBCIUHF-UHFFFAOYSA-NInChI: 1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3
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吲哚美辛钠盐三水合物CAS号: 74252-25-8 Compound CID : 23674731分子式: C19H21ClNNaO7 分子量: 433.8IUPAC Name: sodium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrateSMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)[O-].O.O.O.[Na+]InChIKey: UHYAQBLOGVNWNT-UHFFFAOYSA-MInChI: 1S/C19H16ClNO4.Na.3H2O/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;;;;/h3-9H,10H2,1-2H3,(H,22,23);;3*1H2/q;+1;;;/p-1
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细交链孢菌酮酸分子式: C10H15NO3 分子量: 197.23IUPAC Name: 4-acetyl-2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-oneSMILES: CCC(C)C1C(=C(C(=O)N1)C(=O)C)OInChIKey: CEIZFXOZIQNICU-UHFFFAOYSA-NInChI: 1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)
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YM201636CAS号: 371942-69-7 Compound CID : 9956222分子式: C25H21N7O3 分子量: 467.48IUPAC Name: 6-amino-N-[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl]pyridine-3-carboxamideSMILES: C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)NInChIKey: YBPIBGNBHHGLEB-UHFFFAOYSA-NInChI: 1S/C25H21N7O3/c26-19-7-6-16(14-28-19)24(33)29-17-4-1-3-15(13-17)22-30-20-18-5-2-8-27-25(18)35-21(20)23(31-22)32-9-11-34-12-10-32/h1-8,13-14H,9-12H2,(H2,26,28)(H,29,33)
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Polygalasaponin XXXICAS号: 79103-90-5 Compound CID : 10701737分子式: C75H112O36 分子量: 1589.7IUPAC Name: See moreSMILES: See moreInChIKey: HDLNHPZHTNFCNP-JJEFWQELSA-NInChI: See more
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Haemanthamine分子式: C17H19NO4 分子量: 301.34IUPAC Name: (1S,13S,15S,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-olSMILES: COC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)OInChIKey: YGPRSGKVLATIHT-HSHDSVGOSA-NInChI: 1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16+,17+/m1/s1
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