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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	1-Linoleoyl-2-meadoyl-3-Stearyl-glycerol - CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC	C₅₉H₁₀₆O₅	895.5
-	(1R,2R,5S,6R,7R)-3-[3-(4-benzylpiperidin-1-yl)propyl]-2-N-cyclohexyl-6-N-(3,4-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide - CC1=C(C=C(C=C1)NC(=O)[C@H]2[C@H]3C=C[C@]4([C@H]2C(=O)N([C@H]4C(=O)NC5CCCCC5)CCCN6CCC(CC6)CC7=CC=CC=C7)O3)C	C₃₉H₅₀N₄O₄	638.8
197313-74-9	2,3-diphenyl-1H-indole-7-carboxylic acid - C1=CC=C(C=C1)C2=C(NC3=C2C=CC=C3C(=O)O)C4=CC=CC=C4	C₂₁H₁₅NO₂	313.3
-	(2S,5S,8S,9S,10S,14R)-17-[(2R,4R)-4-[(2S,3R)-3-cyclopentyl-3-methyloxiran-2-yl]-4-hydroxybutan-2-yl]-2-(3-hydroxyphenyl)-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthrene-3,16-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[C@H](C(=O)C6(C)C)C7=CC(=CC=C7)O)C)C	C₄₀H₅₆O₅	616.9
-	(1S,2R,5R,6R,7S)-6-N-(3,5-dichlorophenyl)-2-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-oxo-3-[(1R)-1-phenylethyl]-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)N2[C@H](C)C5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)Cl)Cl	C₃₂H₃₅Cl₂N₃O₄	596.5
-	(5R,8R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(2-phenylethynyl)-1,2,5,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one - C[C@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2CC(=O)[C@H]4[C@@]3(CCC(=C4)C#CC5=CC=CC=C5)C)C	C₃₅H₄₈O	484.8
-	5-[({[1-(2,4-dichlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]-2-phenyl-2H-1,2,3-triazole-4-carboxamide - CN1C2=C(N=C1SCC(=O)NC3=NN(N=C3C(=O)N)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=C(C=C(C=C5)Cl)Cl)C	C₂₅H₂₁Cl₂N₉O₄S	614.5
-	[(Z,2S)-4-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-methyl-7-[2-[(6-{[6-{[5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl]amino}hexanoyl]amino}hexanoyl)amino]ethoxy]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]carbamoyl]but-3-en-2-yl] acetate - C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2[C@H]([C@@]3(C[C@@](O2)(C)OCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)CO3)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C	C₅₁H₈₂N₆O₁₂S	1003.3
-	TG(14:1(9Z)/20:1(11Z)/22:2(13Z,16Z)) - CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC	C₅₉H₁₀₆O₆	911.5
141544-44-7	Triploside B - C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CO[C@H]([C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O[C@@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O[C@H]7CC[C@@]8([C@H]9CC=C1[C@H]2CC(CC[C@@]2(CC[C@]1([C@@]9(CCC8C7(C)C)C)C)C(=O)O)(C)C)C)O)O)O	C₆₂H₁₀₀O₂₇	1277.4