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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(1R,6S,7S,10S,11S)-10-hydroxy-7,10,14-trimethyl-6-propan-2-yl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-dien-9-one - CC1=CC[C@H]2[C@](C(=O)C[C@]3([C@@H](CC=C3C[C@H]1O2)C(C)C)C)(C)O	C₂₀H₃₀O₃	318.4
-	GD3 carbohydrate moiety - CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)(C(=O)O)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O)CO)CO)O)O	C₃₄H₅₆N₂O₂₇	924.8
-	9-[[(2R,3R)-3-methyl-3-[[(2S)-4-methyl-5-oxo-2H-furan-2-yl]methyl]oxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one - CC1=C[C@@H](OC1=O)C[C@@]2([C@H](O2)COC3=C4C(=CC5=C3OC=C5)C=CC(=O)O4)C	C₂₁H₁₈O₇	382.4
-	Methanesulfinothioic acid, S-1-propyl ester - CCCSS(=O)C	C₄H₁₀OS₂	138.3
-	(2R,3R,4S,5S)-2-[6-amino-8-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol - C1=CC=C(C(=C1)/C=N\NC2=NC3=C(N=CN=C3N2[C@H]4[C@@H]([C@@H]([C@@H](O4)CO)O)O)N)Cl	C₁₇H₁₈ClN₇O₄	419.8
-	[(1R,2R,7S,8R)-3-(hydroxymethyl)-7,9-dimethyl-3-tricyclo[5.4.0.02,8]undec-9-enyl]methanol - CC1=CC[C@@H]2[C@@H]3[C@H]1[C@]2(CCCC3(CO)CO)C	C₁₅H₂₄O₂	236.35
-	(2R)-2-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dihydroquinazolin-4-one - C[C@H]([C@@]1(NC2=CC=CC=C2C(=O)N1)C)O	C₁₁H₁₄N₂O₂	206.24
-	[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5S)-3-(furan-3-yl)-5-methoxy-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] (E)-2-methylbut-2-enoate - C/C=C(\C)/C(=O)O[C@@H]1[C@H]2[C@H]3[C@](CO2)([C@@H](C[C@@H]([C@@]3([C@H]([C@]1(C)C4=C([C@@H](C[C@@H]4OC)C5=COC=C5)C)CC(=O)OC)C)OC(=O)C)OC(=O)C)C	C₃₇H₅₀O₁₁	670.8
-	(3R,3aR,4aR,8aR,9aR)-3-[[[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-methylamino]methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one - C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3CN(C)C[C@@H](COC4=CC=CC5=CC=CC=C54)O	C₂₉H₃₇NO₄	463.6
-	sodium;(4aS,6aS,11aR,11bS)-7-(hydroxymethyl)-4,4,6a,11b-tetramethyl-10-sulfooxy-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-9-olate - C[C@]12CCCC([C@@H]1CC[C@]3([C@@H]2CC4=C3C(=CC(=C4OS(=O)(=O)O)[O-])CO)C)(C)C.[Na+]	C₂₂H₃₁NAO₆S	446.5