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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	Laevinol E - C[C@H]1C[C@@H](C=C2[C@@]1([C@H](C(=O)CC2)C(=O)C)C)O	C₁₄H₂₀O₃	236.31
-	6,7-Diallyloxy-4-methylcoumarin - CC1=CC(=O)OC2=CC(=C(C=C12)OCC=C)OCC=C	C₁₆H₁₆O₄	272.29
-	N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide - C1C(=O)OC2=CC=CC=C2N1CC(=O)NCCC3=CNC4=CC=CC=C43	C₂₀H₁₉N₃O₃	349.4
-	(2S,4S,5R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3R)-3-hydroxy-2-(octadec-9-enoylamino)octadecoxy]oxan-3-yl]oxy-5-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid - CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)CC(=O)C)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O[C@@]5(C[C@@H]([C@H](C(O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCC=CCCCCCCCC)O	C₇₉H₁₃₉N₃O₃₄	1674.9
-	N-[[(1R)-2-nitroso-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide - C1CN([C@H](C2=CC=CC=C21)CNC(=O)C3=CC=CC=C3)N=O	C₁₇H₁₇N₃O₂	295.34
-	5-[(3S)-12-Dithiolan-3-YL]-N-[2-(4-methoxyphenyl)-2-oxoethyl]pentanamide - COC1=CC=C(C=C1)C(=O)CNC(=O)CCCC[C@H]2CCSS2	C₁₇H₂₃NO₃S₂	353.5
143085-77-2	1-Butanaminium, 4-amino-N-(4-aminobutyl)-N,N-bis(3-aminopropyl)- - C(CC[N+](CCCCN)(CCCN)CCCN)CN	C₁₄H₃₆N₅+	274.47
-	1-Meadoyl-2-Stearyl-3-nervonoyl-glycerol - CCCCCCCCCCCCCCCCCCO[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC	C₆₅H₁₂₀O₅	981.6
-	1-Tetracosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine - CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	C₄₈H₉₆NO₈P	846.3
-	N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide - CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)NC(=O)C	C₂₆H₂₈N₂O₄S	464.6