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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	2-(5-Hydroxy-naphthalen-1-YL)-1,3-benzooxazol-6-OL - C1=CC2=C(C=CC=C2O)C(=C1)C3=NC4=C(O3)C=C(C=C4)O	C₁₇H₁₁NO₃	277.27
-	TG(17:0/i-18:0/a-17:0)[rac] - CCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C	C₅₅H₁₀₆O₆	863.4
-	(1S,4S)-4-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-propan-2-ylphenyl)methyl]cyclopent-2-en-1-amine - CC1=C(C(=NN1C2=CC(=CC=C2)Br)C)[C@H]3C[C@@H](C=C3)NCC4=CC=C(C=C4)C(C)C	C₂₆H₃₀BRN₃	464.4
824-91-9	Methoxymethoxybenzene - COCOC1=CC=CC=C1	C₈H₁₀O₂	138.16
-	2-[1-(3,4-dimethoxyphenyl)-8,9-dimethoxy-2-phenylpyrrolo[2,1-a]isoquinolin-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxoacetamide - CC(C)(CO)NC(=O)C(=O)C1=C(C(=C2N1C=CC3=CC(=C(C=C32)OC)OC)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5	C₃₄H₃₄N₂O₇	582.6
-	methyl (1R,2S,5S,8S,10R,14R,15S,23R)-1,2,5,8,15,22,22-heptamethyl-13-oxo-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-8-carboxylate - C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC6=C(C5(C)C)ON=C6)C)C)(C)C(=O)OC	C₃₂H₄₅NO₄	507.7
-	[(1R,3R,4R,4aR,5S,8S,8aS)-8-cyclohexyl-4,5-dihydroxy-3,8-dimethyl-4a-(4-methylpentyl)-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate - C[C@@H]1C[C@H]([C@H]2[C@](CC[C@@H]([C@@]2([C@]1(CCC3=CC(=O)OC3)O)CCCC(C)C)O)(C)C4CCCCC4)OC(=O)C	C₃₂H₅₂O₆	532.8
-	[(3R,8R,9R,10R,13S,14R,17R)-17-cyano-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate - CC(=O)O[C@@H]1CC[C@@]2([C@@H]3CC[C@]4([C@@H]([C@@H]3CC=C2C1)CC[C@@]4(C#N)O)C)C	C₂₂H₃₁NO₃	357.5
-	2-Methyl-6-(3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl)peroxyoxane-3,4,5-triol - CC1C(C(C(C(O1)OOC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)O)O	C₁₈H₂₆O₁₁	418.4
-	[2-methoxy-4-(5-methyl-2,8-dioxo-10-phenyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-4-yl)phenoxy]acetic acid - CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C4=C1C(CC(=O)O4)C5=CC(=C(C=C5)OCC(=O)O)OC	C₂₈H₂₂O₈	486.5