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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(E)-4-[(1R,6S)-4,6-dimethylcyclohex-3-en-1-yl]-1-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]but-3-en-2-one - C[C@H]1CC(=CC[C@H]1/C=C/C(=O)C[C@@H]2C3=C(C4=C(C=C3CCN2C)OCO4)OC)C	C₂₄H₃₁NO₄	397.5
-	(2R)-1-[2-[(E)-[(8R,9S,10R,13S,14R,17S)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetyl]pyrrolidine-2-carboxylic acid - C[C@]12CC/C(=N\OCC(=O)N3CCC[C@@H]3C(=O)O)/C=C1CC[C@@H]4[C@@H]2CC[C@]5([C@@H]4CC[C@@]5(C#C)O)C	C₂₈H₃₈N₂O₅	482.6
-	3-[(3S,5S,8S,9R,10R,11S,13R,14S,17R)-3-[(2R,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,11,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one - C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4[C@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@@H]4O)C)C6=CC(=O)OC6)O)C)O)O)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O	C₃₅H₅₄O₁₅	714.8
-	1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis[(1-methylpyrazol-4-yl)methyl]methanamine - CN1C=C(C=N1)CN(C[C@H]2CN3C(=NC=C3C4=CC(=CC=C4)Cl)CO2)CC5=CN(N=C5)C	C₂₃H₂₆ClN₇O	452.0
-	(1R,8S,9E,14S)-1-(2-aminophenyl)-9-ethylidene-3,5,11-triazatetracyclo[6.5.2.02,7.011,14]pentadeca-2(7),5-diene-4-thione - C/C=C\1/CN2CC[C@]3([C@@H]2C[C@@H]1C4=C3NC(=S)N=C4)C5=CC=CC=C5N	C₂₀H₂₂N₄S	350.5
-	(7R)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene - C[C@H]1C(C2=C(C1(C)C)C=C3C(COCC3=C2)C)(C)C	C₁₈H₂₆O	258.4
-	(Z,3S)-N-methoxy-3-methyl-12-pyridin-3-yldodecan-1-imine - C[C@@H](CCCCCCCCCC1=CN=CC=C1)C/C=N\OC	C₁₉H₃₂N₂O	304.5
219546-79-9	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)oxy]oxane-3,4,5-triol - CC1(C2(CCC(O1)(CC2)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C	C₁₆H₂₈O₇	332.39
-	[(2S)-1-(12-methyltridecanoyloxy)-3-octanoyloxypropan-2-yl] nonadecanoate - CCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCC(C)C	C₄₄H₈₄O₆	709.1
-	2-[(2E,6E,8S,9S,10E)-8,9-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-6-methylbenzene-1,4-diol - CC1=CC(=CC(=C1O)C/C=C(\C)/CC/C=C(\C)/[C@@H]([C@H](/C=C(\C)/CCC=C(C)C)O)O)O	C₂₇H₄₀O₄	428.6