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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(3S,6R)-3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione - C1=CC=C(C=C1)C[C@H]2C(=O)N[C@@H](C(=O)N2)CC3=CNC4=CC=CC=C43	C₂₀H₁₉N₃O₂	333.4
-	(1S,4aR,5R,8aR)-1,4a-dimethyl-5-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid - CC1=CCO[C@H]1C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CCC[C@]3(C)C(=O)O)C	C₂₀H₃₀O₃	318.4
-	7-[2,3-Dihydroxy-4-(4-hydroxy-4-methyl-5-oxooxolan-2-yl)-3-methylbutoxy]-8-hydroxychromen-2-one - CC1(CC(OC1=O)CC(C)(C(COC2=C(C3=C(C=C2)C=CC(=O)O3)O)O)O)O	C₁₉H₂₂O₉	394.4
-	3-[(3S)-3-methylazecan-1-yl]propan-1-amine - C[C@H]1CCCCCCCN(C1)CCCN	C₁₃H₂₈N₂	212.37
-	1-cyclohexyl-3-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-yl]methyl]urea - C1CCC(CC1)NC(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)CC(=O)N3CCN(CC3)C4=CC=CC=C4)O)O	C₂₄H₃₆N₄O₅	460.6
-	(3S,4R)-3-[(1R,5R,6R)-3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl]oxycarbonyl-4-(3,4-dihydroxyphenyl)-7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydronaphthalene-2-carboxylic acid - C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)OC(=O)[C@H]2[C@@H](C3=CC(=C(C=C3C=C2C(=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O	C₃₁H₃₂O₁₇	676.6
-	[(1S,2S,6S,8R,9R,10S,12R,14S)-10-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-8-yl] (Z)-2-methylbut-2-enoate - C/C=C(/C)\C(=O)O[C@@H]1C[C@@H]2[C@@H]([C@@H]3[C@@]1([C@H](C[C@@H]4[C@]3(O4)C)O)C)OC(=O)C2=C	C₂₀H₂₆O₆	362.4
-	N~2~-[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]-N-propan-2-ylglycinamide - C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC(=O)NC(C)C	C₂₁H₂₅ClN₂O₆	436.9
-	Buceracidin A - CC1(C=CC2=C(C3=C(C=C2O1)O[C@@H]([C@H](C3=O)OC)C4=CC=CC=C4O)O)C	C₂₁H₂₀O₆	368.4
-	[(1R,2S,4S,5S,9R,10S,13R,14R)-2-acetyloxy-14-hydroxy-5,9,14-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate - CC(=O)OC[C@]1(CCC[C@@]2([C@@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)OC(=O)C)C)C	C₂₄H₃₈O₅	406.6