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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(15R,21R,22R)-21-[(4S,9R)-6-amino-4-propan-2-yl-3,4,5,8,9,10-hexahydro-1,2,5,7-dithiadiazecin-9-yl]-7,15,22-trihydroxy-6-(hydroxymethoxy)-25-(methylaminomethoxy)-23-oxatetracyclo[16.7.1.05,10.019,24]hexacosa-1(25),5(10),6,8,18(26),19(24)-hexaen-3-yn-13-one - CC(C)[C@H]1CSSC[C@@H](CN=C(N1)N)[C@H]2CC3=C(C(=C4CC#CC5=C(CCC(=O)C[C@@H](CCC3=C4)O)C=CC(=C5OCO)O)OCNC)O[C@H]2O	C₃₇H₅₀N₄O₈S₂	742.9
-	TG(14:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) - CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	C₅₇H₉₄O₆	875.4
-	1-Linoleoyl-2-Stearyl-3-eicosadienoyl-glycerol - CCCCCCCCCCCCCCCCCCO[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC	C₅₉H₁₀₈O₅	897.5
-	(1S,2R,5R,6S,7S)-2-N-[(1S,2R)-2-methylcyclohexyl]-6-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide - C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]2[C@@]34C=C[C@H](O3)[C@H]([C@H]4C(=O)N2CCN5CCOCC5)C(=O)NC6=CC=CC(=C6)C	C₃₀H₄₀N₄O₅	536.7
-	(4S)-2-cyclopropylsulfonyl-N-(3,4-dimethoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide - COC1=C(C=C(C=C1)NC(=O)[C@@H]2CN(CC23CCCCC3)S(=O)(=O)C4CC4)OC	C₂₁H₃₀N₂O₅S	422.5
-	N-cycloheptyl-7,11-diazaspiro[5.6]dodec-11-en-12-amine - C1CCCC(CC1)NC2=NCCCNC23CCCCC3	C₁₇H₃₁N₃	277.4
-	1-Linoleoyl-2-eicosapentaenoyl-3-eicsoatetraenoyl-glycerol - CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	C₆₁H₉₆O₆	925.4
-	S-[(3S,8R,9R,10R,13R,14R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2S)-2-chloroheptanethioate - CCCCC[C@@H](C(=O)S[C@H]1CC[C@@]2([C@@H]3CC[C@]4([C@@H]([C@H]3CC=C2C1)CC[C@H]4[C@@H](C)CCCC(C)C)C)C)Cl	C₃₄H₅₇ClOS	549.3
-	N-[(2R,3S,4S,5R,6S)-2-[(2S,3R,4S,5S,6S)-6-[[(3aR,4S,5S,6S,6aS)-4-hydroxy-6-(hydroxymethyl)-2-methylimino-3,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-5-yl]oxy]-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(methoxymethyl)oxan-3-yl]acetamide - CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)NC(=O)C)O[C@H]3[C@H]([C@H]4[C@@H]([C@@H]3O)NC(=NC)O4)CO)CO)COC)O)O	C₂₅H₄₂N₄O₁₄	622.6
42763-77-9	4(S),8(S),12-Trimethyltridecanoic acid - C[C@H](CCC[C@H](C)CCC(=O)O)CCCC(C)C	C₁₆H₃₂O₂	256.42