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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	[(2R,3R,5S,7S,8S,9R,10R)-7,9,10-triacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylidene-2-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-methylbutanoate - CCC(C)C(=O)O[C@H]1[C@@H]2C(=C)[C@H](C[C@@H]([C@]2([C@H]([C@@H](C3=C(CCC1C3(C)C)C)OC(=O)C)OC(=O)C)C)OC(=O)C)O	C₃₁H₄₆O₉	562.7
-	[3,8-bis(4-methoxyphenyl)-2-methyl-4-oxo-4H-furo[2,3-h]chromen-9-yl]acetic acid - CC1=C(C(=O)C2=C(O1)C3=C(C=C2)OC(=C3CC(=O)O)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC	C₂₈H₂₂O₇	470.5
-	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate - C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)OS(=O)(=O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O	C₄₂H₆₈O₁₇S	877.0
-	2-[2'-butyl-5'-chloro-5-(4-methoxyphenyl)-1H,1'H-2,4'-biimidazol-4-yl]-3-hydroxy-6-methyl-4H-pyran-4-one - CCCCC1=NC(=C(N1)Cl)C2=NC(=C(N2)C3=C(C(=O)C=C(O3)C)O)C4=CC=C(C=C4)OC	C₂₃H₂₃ClN₄O₄	454.9
-	2-amino-N-[(1S,2R,3R,4S,6R)-4-amino-3-[(2R,3R,6R)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-N-methylacetamide - C[C@@H]([C@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@H]([C@H]2O)N(C)C(=O)CN)OC)N)N)N	C₁₇H₃₅N₅O₅	389.5
-	CID 162889233 - CC[C@@H]([C@H]1C[C@@H]([C@@H](C[C@H]2C[C@@H](C[C@H]2O1)C=C=CBr)O)Br)Br	C₁₆H₂₃BR₃O₂	487.1
-	2-(2-Amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl)-5-((4-chlorobenzyl)oxy)phenol - COC1=C(C=C(C=C1)C2=CN=C(N=C2C3=C(C=C(C=C3)OCC4=CC=C(C=C4)Cl)O)N)OC	C₂₅H₂₂ClN₃O₄	463.9
-	[(2R)-1-(11-methyldodecanoyloxy)-3-pentadecanoyloxypropan-2-yl] docosanoate - CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C	C₅₃H₁₀₂O₆	835.4
-	[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-phenylsulfanyloxan-2-yl]methyl acetate - CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1SC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C	C₂₀H₂₅NO₈S	439.5
-	(2R,3R,3aS,5aS,6S,8aR,9S,10aS,10bS,10cS)-3-isocyanato-6-isocyano-2,3,6,9-tetramethyl-1,2,3a,4,5,5a,7,8,8a,9,10,10a,10b,10c-tetradecahydropyrene - C[C@H]1C[C@H]2C[C@H]([C@@]([C@@H]3[C@@H]2[C@@H]4[C@@H]1CC[C@]([C@H]4CC3)(C)[N+]#[C-])(C)N=C=O)C	C₂₂H₃₂N₂O	340.5