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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	[(1R,2R,4S,7S,8R,9R,12S,13S,16S)-2,7-dihydroxy-16-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-7,9-dimethyl-3,6-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-13-yl]methyl acetate - C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@@H]6[C@@H](CO[C@]6(C)O)O[C@@]5([C@@H]4CC=C3C2)O)C)COC(=O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC)O)OC)OC	C₅₆H₉₀O₂₅	1163.3
-	(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[4-[(3S,3aR,6R,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol - C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C(C=C3)[C@H]4[C@H]5CO[C@@H]([C@H]5CO4)C6=CC(=C(C=C6)O)OC)OC)O)O)O)O)O)O	C₃₂H₄₂O₁₅	666.7
-	2-[(2R)-2-[(1R)-2-[(1S,2S,3R,4aS,8aS)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-1-hydroxyethyl]oxiran-2-yl]-2-oxoacetaldehyde - C[C@@H]1[C@H](C(=O)[C@]2([C@H]([C@]1(C)C[C@H]([C@]3(CO3)C(=O)C=O)O)CCC=C2C)C)O	C₂₀H₂₈O₆	364.4
-	(2R,3R,4S,5S,6R)-2-[[(1S,4aS,5S,7aR)-5-hydroxy-7-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol - CC1=C[C@H]([C@@H]2[C@H]1[C@@H](OC=C2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	C₁₅H₂₂O₈	330.33
-	4-Amino-L-tryptophan - C1=CC(=C2C(=C1)NC=C2C[C@@H](C(=O)O)N)N	C₁₁H₁₃N₃O₂	219.24
1166254-80-3	Ltx-109 - CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)NC(=C2C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCC3=CC=CC=C3)NC(=O)[C@H](CCCN=C(N)N)N)C(C)(C)C	C₄₃H₆₉N₁₁O₃	788.1
-	2'-O-Acetyl Adenosine-5-Diphosphoribose - CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O	C₁₇H₂₅N₅O₁₅P₂	601.4
123039-93-0	Dihydrexidine - C1CC2=CC(=C(C=C2[C@H]3[C@H]1NCC4=CC=CC=C34)O)O	C₁₇H₁₇NO₂	267.32
62435-42-1	Perfosfamide - C1CO[P@](=O)(N[C@@H]1OO)N(CCCl)CCCl	C₇H₁₅Cl₂N₂O₄P	293.08
-	FR236913 - C1=CC=C(C=C1)CNC(=O)NC2=CC3=C(C=C2)C=CN3CC[C@H](CO)N4C=C(N=C4)C(=O)N	C₂₄H₂₆N₆O₃	446.5