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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	3-[[(1R,4S,5S,8R,9R,12S,13S,16S,19S)-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]-3-oxopropanoic acid - C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@]5([C@H]3CC[C@@H](C5(C)C)OC(=O)CC(=O)O)O[C@@H]4OC)C)C	C₃₄H₅₂O₇	572.8
-	Oxisterigmatocystin I - CO[C@@H]1C[C@@H]2[C@H](O1)OC3=CC(=C4C(=C23)OC5=CC=CC(=C5C4=O)O)OC	C₁₉H₁₆O₇	356.3
-	(3S,3aR,4aR,5R,8aR,9aR)-3-(azepan-1-ylmethyl)-8a-methylspiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one - C[C@]12CCC[C@@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)[C@@H]4CN5CCCCCC5)CO3	C₂₁H₃₃NO₃	347.5
-	1-[3-(3,7-Dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-methoxyphenyl]ethanone - CC(=CCCC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C)O)C)C	C₁₉H₂₆O₄	318.4
-	2-(2,3-Dihydro-1-benzofuran-5-YL)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-YL)acetamide - C1CC(C2=C(C1)C3=CC=CC=C3N2)NC(=O)CC4=CC5=C(C=C4)OCC5	C₂₂H₂₂N₂O₂	346.4
-	1-benzyl-3-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-1H-azepino[4,3,2-cd]indol-5-ol - COC1=C(C=CC(=C1)C2CC(=O)NC3=C4C2=CN(C4=CC=C3)CC5=CC=CC=C5)O	C₂₅H₂₂N₂O₃	398.5
-	(1R,2R,5R,10R,14R,15R,18R,22S,23R)-1,5,8,8,15,20,20,22-octamethyl-19,21-dioxahexacyclo[12.11.0.02,11.05,10.015,23.018,22]pentacos-11-ene-2-carboxylic acid - C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]6[C@]5(OC(O6)(C)C)C)C)C)[C@@H]1CC(CC2)(C)C)C(=O)O	C₃₂H₅₀O₄	498.7
-	(1S,2R,5R,6S,7S)-6-N-(3-chlorophenyl)-2-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide - C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@H]2[C@@]34C=C[C@H](O3)[C@H]([C@H]4C(=O)N2CC5=CC=CS5)C(=O)NC6=CC(=CC=C6)Cl	C₂₉H₃₂ClN₃O₄S	554.1
103187-09-3	(R)-Serabenast - CC1=C(C(=O)C(=C(C1=O)C)[C@H](CCCCCC(=O)O)C2=CC=CC=C2)C	C₂₂H₂₆O₄	354.4
-	(1R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid - C[C@@H]1[C@H]2C3=CC[C@@H]4[C@]5(C[C@H]([C@@H]([C@@]([C@@H]5[C@@H](C[C@]4([C@@]3(CC[C@]2(CCC1=C)C(=O)O)C)C)O)(C)CO)O)O)C	C₃₀H₄₆O₆	502.7