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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate - C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@H]3OC)O[C@@H]4[C@H](O[C@H](C[C@@H]4OC)O[C@H]5CC[C@@]6([C@H]7C[C@H]([C@@]8([C@@](CC[C@@]8([C@@]7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)/C=C(\C)/C(C)C)C)C)C)C)OC)O	C₅₆H₉₀O₁₉	1067.3
-	(4S,20S)-22-methoxy-20-(4-methoxy-3-propan-2-yloxyphenyl)-4-methyl-3,17-dioxatricyclo[12.8.0.016,21]docosa-1(22),12,14,16(21)-tetraene-2,8,18-trione - C[C@H]1CCCC(=O)CCCC=CC2=CC3=C([C@@H](CC(=O)O3)C4=CC(=C(C=C4)OC)OC(C)C)C(=C2C(=O)O1)OC	C₃₂H₃₈O₈	550.6
-	2-[(1R,2S)-1-carboxy-2-methylbutyl]-5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)-3-oxo-1H-isoindole-4-carboxylic acid - CC[C@H](C)[C@H](C(=O)O)N1CC2=C(C1=O)C(=C(C(=C2OCC=C(C)C)C)OC)C(=O)O	C₂₂H₂₉NO₇	419.5
117667-25-1	Talactoferrin alpha - CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)[C@H](CC2=CC=C(C=C2)O)N	C₃₂H₄₄N₆O₁₀	672.7
-	1-[6-(2-Chloro-4-methyxyphenoxy)-hexyl]-imidazole - COC1=CC(=C(C=C1)OCCCCCCN2C=CN=C2)Cl	C₁₆H₂₁ClN₂O₂	308.80
229305-39-9	Golotimod - C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N	C₁₆H₁₉N₃O₅	333.34
2338-37-6	Levopropoxyphene - CCC(=O)O[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@@H](C)CN(C)C	C₂₂H₂₉NO₂	339.5
-	[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate - C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(C[C@@H]([C@@H]([C@@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)CO)O)O)O)O)O	C₅₄H₈₈O₂₄	1121.3
-	(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-4-acetyloxy-6-[(2S,3R,4R,5R,6S)-4-acetyloxy-6-[(2S,3R,4R,5R,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-5-hydroxy-2-methoxycarbonyloxan-3-yl]oxy-2-carboxy-5-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid - CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)C(=O)O)O)O)O)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)OC)O[C@@H]4[C@@H]([C@H]([C@@H](O[C@@H]4C(=O)O)O)O)O)O)OC(=O)C)O	C₂₉H₄₀O₂₇	820.6
-	(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,3,30,31-tetrol - C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\[C@H](O)C(O)(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/C=C/[C@@H](O)C(O)(C)C)\C)\C	C₄₀H₅₆O₄	600.9