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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	3,6,6,7b-Tetramethyldecahydro-1H-cyclobuta[e]inden-3-ol - CC1(CC2CC(C3CCC3(C2C1)C)(C)O)C	C₁₅H₂₆O	222.37
-	(3S,6R,9S,12S,15R,19R)-3-[(2S)-butan-2-yl]-9-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-6,15-bis(2-methylpropyl)-19-[(Z)-non-2-enyl]-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone - CCCCCC/C=C\C[C@@H]1CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)[C@@H](C)CC)CC(C)C)[C@@H](C)O)CO)CC(C)C	C₃₇H₆₅N₅O₉	723.9
-	[(2S)-2-[2-[(1R,2R,4aS)-1,2,5,5-tetramethyl-7-oxo-3,4,4a,6-tetrahydro-2H-naphthalen-1-yl]ethyl]-5-(furan-3-yl)pentyl] hydrogen sulfate - C[C@@H]1CC[C@@H]2C(=CC(=O)CC2(C)C)[C@]1(C)CC[C@H](CCCC3=COC=C3)COS(=O)(=O)O	C₂₅H₃₈O₆S	466.6
53848-05-8	Gentianal - CC1C2=CNC(=O)C(=C2CCO1)C=O	C₁₀H₁₁NO₃	193.20
-	methyl (1S,4S,7R,8S,9S,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-5-ene-8-carboxylate - COC(=O)[C@H]1[C@@H]2C=C[C@@]3([C@H]2[C@@H](OC3)O[C@@H]1O)O	C₁₁H₁₄O₆	242.22
-	[(1R,2S,3R,4S,7R,8S)-1,7-dimethyl-4-propan-2-yl-11-oxatricyclo[6.2.1.02,7]undecan-3-yl] (E)-3-phenylprop-2-enoate - CC(C)[C@@H]1CC[C@]2([C@@H]3CC[C@]([C@@H]2[C@@H]1OC(=O)/C=C/C4=CC=CC=C4)(O3)C)C	C₂₄H₃₂O₃	368.5
-	3-[[[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]methyl]benzonitrile - C1CCC(CC1)CC2=CN(N=N2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NCC5=CC(=CC=C5)C#N	C₂₃H₂₉N₅O₂	407.5
-	N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide - CC(=O)NCC1=NC(=NO1)C2=CC=C(C=C2)OC	C₁₂H₁₃N₃O₃	247.25
-	3-[[(2S,3R,4R,5S,6R)-5-[[6-(3,5-dimethylphenyl)-1H-pyrrolo[3,4-b]pyrrol-5-yl]oxy]-3,4-dihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid - CC1=CC(=CC(=C1)C2=C3C(=CN2O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4OC5=CC6=C(C=C5)C(=O)C(=CO6)C7=CC=C(C=C7)O)COC(=O)CC(=O)O)O)O)C=CN3)C	C₃₈H₃₄N₂O₁₂	710.7
-	(3S,5S,8S,9S,10R,13S,14R,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-[(1S)-1-[(2S,5R,6S)-5-methyl-6-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]ethyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one - C[C@@H]1CC[C@H](O[C@H]1O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)[C@@H](C)[C@H]3CC[C@H]4[C@@]3(CC[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C	C₄₅H₇₄O₁₇	887.1