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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	2-(2-Methoxyanilino)-N-phenethyl-4-quinolinecarboxamide - COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=CC=C4	C₂₅H₂₃N₃O₂	397.5
-	[(2S)-3-hydroxy-2-(10-methylundecanoyloxy)propyl] 17-methyloctadecanoate - CC(C)CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC(C)C	C₃₄H₆₆O₅	554.9
-	(1R,2S,3S,10R,11S,14S,15S,19S)-7-[(2R,4R)-4-[(2S,3R)-3-cyclopentyl-3-methyloxiran-2-yl]-4-hydroxybutan-2-yl]-19-(3-hydroxyphenyl)-2,10,11,15-tetramethylpentacyclo[13.3.2.02,14.03,11.06,10]icosa-6,17-diene-8,20-dione - C[C@H](C[C@H]([C@H]1[C@@](O1)(C)C2CCCC2)O)C3=C4CC[C@@H]5[C@@]([C@]4(CC3=O)C)(CC[C@H]6[C@]5([C@@H]7C=CC[C@@]6(C(=O)[C@@H]7C8=CC(=CC=C8)O)C)C)C	C₄₂H₅₆O₅	640.9
-	1-Stearoyl-2-g-linolenoyl-3-oleoyl-glycerol - CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC	C₅₇H₁₀₂O₆	883.4
-	1-benzyl-8-[[(2R)-2-hydroxypropyl]amino]-3,7-dimethylpurine-2,6-dione - C[C@H](CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3)O	C₁₇H₂₁N₅O₃	343.4
-	(1S,2S,5R,6S,7S)-6-N-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]-2-N-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide - C1CCC(CC1)NC(=O)[C@@H]2[C@@]34C=C[C@H](O3)[C@H]([C@H]4C(=O)N2CCC5=CC=CC=C5Cl)C(=O)NC6=CC(=CC=C6)Cl	C₃₀H₃₁Cl₂N₃O₄	568.5
-	(1S,2R,5S,6S,7R)-2-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-methoxypropyl)-6-N-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide - C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@H]2[C@@]34C=C[C@@H](O3)[C@H]([C@@H]4C(=O)N2CCCOC)C(=O)NC5=CC=CC(=C5)C	C₂₉H₃₉N₃O₅	509.6
-	1-Vaccenoyl-2-docosapentaenoyl-3-arachidonoyl-glycerol - CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	C₆₃H₁₀₂O₆	955.5
-	(2S,3S,4S,5R,6S)-6-[3-(diaminomethylideneamino)propyl]-6-[(2S,3S,4S,5R,6S)-6-[2-[3,4-dihydroxy-5-(2-hydroxyethyl)phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid - C1=C(C=C(C(=C1CCO)O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O[C@]5([C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CCCN=C(N)N)O)O)O)O	C₃₃H₃₉N₃O₁₉	781.7
1279032-69-7	Fmoc-O-methyl-D-Ser - COC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13	C₁₉H₁₉NO₅	341.4