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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aS,14bS)-9-(acetyloxymethyl)-10,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate - C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@]6(C[C@@H]([C@@H]([C@@]7(C)COC(=O)C)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)COC(=O)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O	C₅₂H₈₂O₂₁	1043.2
-	S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxy-6-(3-oxo-2-pent-2-enylcyclopentyl)hexanethioate - CCC=CCC1C(CCC1=O)CCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O)O	C₃₇H₆₀N₇O₁₉P₃S	1031.9
-	[(3S,4R,5S,6R)-4,5-diacetyloxy-6-(benzenesulfonyl)oxan-3-yl] acetate - CC(=O)O[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)S(=O)(=O)C2=CC=CC=C2	C₁₇H₂₀O₉S	400.4
-	(2R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one - CC(=CCC1=C(C=CC(=C1O)C2=COC3=CC4=C(C[C@@H](O4)C(C)(C)O)C(=C3C2=O)O)O)C	C₂₅H₂₆O₇	438.5
-	1-Lignoceroyl-2-a-linolenoyl-3-linoleoyl-glycerol - CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C₆₃H₁₁₂O₆	965.6
-	[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-[(4-methoxyphenoxy)methyl]-3-methylbenzimidazol-3-ium-1-yl]acetate - C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2COC4=CC=C(C=C4)OC)C)C(C)C	C₂₈H₃₇N₂O₄+	465.6
-	(R)-2-Cyclohexyl-2-(cyclopropylamino)propanoic acid - C[C@@](C1CCCCC1)(C(=O)O)NC2CC2	C₁₂H₂₁NO₂	211.30
-	(8aR)-7-benzoyl-2-(2-hydroxyethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione - C1CN2[C@H](CN1C(=O)C3=CC=CC=C3)C(=O)N(C2=O)CCO	C₁₅H₁₇N₃O₄	303.31
-	(1R,2R,7S,9S,10S,12S,13S,14R,16S,19R,20S)-19-[2-[(2S)-2-[(1S)-1,2-dihydroxyethyl]-7-hydroxyheptyl]furan-3-yl]-12-hydroxy-9,13,20-trimethyl-9-(3-methylbutyl)-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,11,17-trione - CC(C)CC[C@]1([C@H]2C(=O)[C@H]([C@@]3([C@@H]([C@]24COC(=O)C[C@@H]4O1)CC[C@@]5([C@]36[C@H](O6)C(=O)O[C@H]5C7=C(OC=C7)C[C@H](CCCCCO)[C@@H](CO)O)C)C)O)C	C₃₉H₅₆O₁₂	716.9
-	(5S)-4-(3-bromobenzoyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one - C1C(=O)NC2=C(C=C(C=C2)Cl)[C@@H](N1C(=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4	C₂₂H₁₆BRClN₂O₂	455.7