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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	1-Adrenoyl-2-linoleoyl-3-eicsoatetraenoyl-glycerol - CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	C₆₃H₁₀₂O₆	955.5
-	4-(7-methoxy-1-benzofuran-2-yl)-2-oxo-7-phenyl-2H-chromen-6-yl thiophene-2-carboxylate - COC1=CC=CC2=C1OC(=C2)C3=CC(=O)OC4=CC(=C(C=C34)OC(=O)C5=CC=CS5)C6=CC=CC=C6	C₂₉H₁₈O₆S	494.5
-	1-Nervonoyl-2-docosapentaenoyl-3-linoleoyl-glycerol - CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	C₆₇H₁₁₄O₆	1015.6
-	[(3S,5R,8R,9R,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-(2-phenylethynyl)-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate - C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2C(=C[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C#CC6=CC=CC=C6)C	C₄₂H₅₄O₂	590.9
-	3-Cyclopentyl-1-{7'-methoxy-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-A]quinoxalin]-1-YL}propan-1-one - COC1=CC2=C(C=C1)N3C=CC=C3C4(N2)CCN(CC4)C(=O)CCC5CCCC5	C₂₄H₃₁N₃O₂	393.5
-	(2R,5R,8R,9S,10R,14R)-17-[(2R,4R)-4-[(2S,3R)-3-cyclopentyl-3-methyloxiran-2-yl]-4-hydroxybutan-2-yl]-8-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4,4,10,14-tetramethyl-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione - C[C@H](C[C@H]([C@H]1[C@@](O1)(C)C2CCCC2)O)C3=C4CC[C@H]5[C@]6(C[C@@H](C(=O)C([C@@H]6CC[C@@]5([C@]4(CC3=O)C)CCO)(C)C)C7=CC(=CC=C7)O)C	C₄₁H₅₈O₆	646.9
-	2-[(1S,2'S,4aS,7R,7'R,8S,8'S,8aR,9'S,12'S,15'R,19'R)-4a-(diaminomethylideneamino)-1,9',12'-trihydroxy-2',6',6',8,15',19'-hexamethyl-5',17'-dioxo-8'-(2-phenylethenyl)spiro[3,4,8,8a-tetrahydro-1H-naphthalene-7,14'-pentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(18),10-diene]-2-ylidene]propanoic acid - C[C@H]1[C@H]2[C@@H](C(=C(C)C(=O)O)CC[C@@]2(C=C[C@]13C[C@@]4(C=C[C@@]5([C@H]([C@@H]6[C@](CCC(=O)C6(C)C)(C7=C5[C@]4([C@@]3(CC7=O)C)C)C)C=CC8=CC=CC=C8)O)O)N=C(N)N)O	C₄₆H₅₇N₃O₇	764.0
-	(1S,2R,5S,6R,7R)-6-N-(4-chlorophenyl)-2-N-cyclohexyl-4-oxo-3-[(1R)-1-phenylethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide - C[C@H](C1=CC=CC=C1)N2[C@H]([C@@]34C=C[C@@H](O3)[C@@H]([C@@H]4C2=O)C(=O)NC5=CC=C(C=C5)Cl)C(=O)NC6CCCCC6	C₃₀H₃₂ClN₃O₄	534.0
-	(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-17-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-one - C[C@@]1(CC[C@H](O1)C(C)(C)O)[C@H]2CC[C@@]3([C@@H]2C(=O)C[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C	C₃₀H₅₀O₄	474.7
-	(2R)-3-[[(3S,6R,9R,10S,13S,16S)-13-(2-amino-2-oxoethyl)-6-(3-amino-3-oxopropyl)-10-methyl-2,5,8,12,15-pentaoxo-3-propan-2-yl-11-oxa-1,4,7,14-tetrazabicyclo[14.3.0]nonadecan-9-yl]amino]-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2S)-1-[3-(4-bromophenyl)-2-[[(2S)-2-formamidopropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3,3-dimethylbutanoyl]amino]-3,3-dimethylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-oxopropane-1-sulfonic acid - CCC(C)(C)[C@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H]3[C@@H](OC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](NC3=O)CCC(=O)N)C(C)C)CC(=O)N)C)NC(=O)C(C(C)(C)C)NC(=O)[C@@H]5CCCN5C(=O)C(CC6=CC=C(C=C6)Br)NC(=O)[C@H](C)NC=O	C₇₄H₁₀₈BRN₁₉O₂₀S	1695.7