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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(2S)-N-(4-methoxyphenyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxypropanamide - CC1=C(C(=O)OC2=C1C=CC(=C2C)O[C@@H](C)C(=O)NC3=CC=C(C=C3)OC)C	C₂₂H₂₃NO₅	381.4
-	methyl (3S,5R,8S,9R,10R,13R,14S)-3,17-dihydroxy-10-(hydroxymethyl)-4,4,8,12,13,16-hexamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate - CC1=C[C@@H]2[C@](CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)CO)([C@@]4([C@@]1(C(=C(C4=O)C)O)C)C(=O)OC)C	C₂₆H₃₈O₆	446.6
-	7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methylpurine-2,6-dione - C[C@H]1C[C@@H](CN(C1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5O4)C(=O)NC(=O)N3C)C	C₂₂H₂₆N₆O₃S	454.5
-	3-[(3R,5S,8R,9S,10R,13R,14S,17S)-5,14-dihydroxy-3-[(2R,4R,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-10-(pyridin-3-ylmethyliminomethyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one - C[C@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2CC[C@@]3([C@H]4CC[C@@]5([C@@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=NCC7=CN=CC=C7)OC)O	C₃₆H₅₀N₂O₈	638.8
-	[(3aR,4S,5S,6R,6aS,7R,9aR,9bR)-5,7-dihydroxy-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (E)-2-(acetyloxymethyl)but-2-enoate - C/C=C(\COC(=O)C)/C(=O)O[C@H]1[C@H]2[C@@H]([C@@H]3[C@@H]([C@@H](C=C3C)O)[C@]4([C@H]1O)CO4)OC(=O)C2=C	C₂₂H₂₆O₉	434.4
-	(3S,4R,6Z,9Z,12Z,15Z)-henicosa-6,9,12,15,20-pentaene-3,4-diol - CC[C@@H]([C@@H](C/C=C\C/C=C\C/C=C\C/C=C\CCCC=C)O)O	C₂₁H₃₄O₂	318.5
-	(4S,4aS,6aS,6aS,6bR,8aR,12aS,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one - C[C@@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C)C)C)C)C	C₃₀H₅₀O	426.7
-	(4S,12R,20R)-4,12,20-tris(4-hydroxyphenyl)-8,16,24-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-6,14,22-triol - COC1=CC(=C2C=C1CC[C@@H](C3=C(C=C(C(=C3)CC[C@H](C4=C(C=C(C(=C4)CC[C@@H]2C5=CC=C(C=C5)O)OC)O)C6=CC=C(C=C6)O)OC)O)C7=CC=C(C=C7)O)O	C₄₈H₄₈O₉	768.9
140199-54-8	2-Butyl-5,6-Dihydro-1h-Imidazo[4,5-D]Pyridazine-4,7-Dione - CCCCC1=NC2=C(N1)C(=O)NNC2=O	C₉H₁₂N₄O₂	208.22
-	(7S,9aR)-7-[(4-chlorophenyl)methyl]-2-(cyclopropanecarbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione - C1CC1C(=O)N2CCN3[C@H](C2)C(=O)N[C@H](C3=O)CC4=CC=C(C=C4)Cl	C₁₈H₂₀ClN₃O₃	361.8