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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	TG(8:0/a-15:0/a-25:0)[rac] - CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC	C₅₁H₉₈O₆	807.3
1137-59-3	4-Hydroxy-3,5-dichlorobiphenyl - C1=CC=C(C=C1)C2=CC(=C(C(=C2)Cl)O)Cl	C₁₂H₈Cl₂O	239.09
-	2-(3-Aminoanilino)-1-phenylethanone - C1=CC=C(C=C1)C(=O)CNC2=CC=CC(=C2)N	C₁₄H₁₄N₂O	226.27
-	[(2S)-1-(20-methylhenicosanoyloxy)-3-octadecanoyloxypropan-2-yl] docosanoate - CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C	C₆₅H₁₂₆O₆	1003.7
-	2-(3,4-dihydroxyphenyl)-6-[(2S,3S,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxychromen-4-one - C[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H](CO[C@H]2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	C₂₆H₂₈O₁₄	564.5
-	[(2R,3S,4R,5R,6R)-6-[[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl propanoate - CCC(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3[C@@H](C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O)O	C₃₂H₄₈O₁₁	608.7
-	(9S,13S,16S)-d10-12-PhytoF(12S,15S) - CC[C@@H]([C@@H]1C[C@@H]([C@@H](O1)/C=C/[C@H](CCCCCCCC(=O)O)O)O)O	C₁₈H₃₂O₆	344.4
-	(12bS)-9-methoxy-12b-methyl-2-(tetrahydrofuran-2-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione - C[C@@]12C3=C(CCN1C(=O)CN(C2=O)CC4CCCO4)C5=C(N3)C=CC(=C5)OC	C₂₁H₂₅N₃O₄	383.4
-	(2S)-2-[(4S,4aS,5S,6R,8aS)-5-hydroxy-4,8a-dimethyl-2-thiophen-3-yl-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-1-morpholin-4-ylpropan-1-one - C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)C4=CSC=C4)C)[C@H](C)C(=O)N5CCOCC5)O	C₂₄H₃₂N₂O₃S₂	460.7
-	1-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-3-(2-hydroxyethoxy)propan-2-ol - C1=CC2=C(C=C1OCC(COCCO)O)C(=CN2)CCN	C₁₅H₂₂N₂O₄	294.35