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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(2S)-2-[[2-[(E)-[(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetyl]amino]-2-phenylacetic acid - CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N/OCC(=O)N[C@@H](C5=CC=CC=C5)C(=O)O)/CC[C@]34C)C)O	C₃₁H₄₀N₂O₆	536.7
-	propan-2-yl (4R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate - CC1=C([C@@H](C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC(C)C	C₂₁H₂₄BRNO₅	450.3
-	N-[(3S,4R,5S)-5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-4-hydroxyoxolan-3-yl]thiophene-2-carboxamide - CC(=O)N1CCCN(CC1)C[C@H]2[C@@H]([C@H](CO2)NC(=O)C3=CC=CS3)O	C₁₇H₂₅N₃O₄S	367.5
-	1-acetyl-10'-(1,3-benzodioxol-5-yl)-9',10'-dihydro-8'H-spiro[piperidine-4,2'-pyrano[2,3-f]chromene]-4',8'(3'H)-dione - CC(=O)N1CCC2(CC1)CC(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=CC6=C(C=C5)OCO6	C₂₅H₂₃NO₇	449.5
-	(3R,6S,9S,18R,21R,24S,27R)-18,24-dibenzyl-21-(hydroxymethyl)-3-methyl-6-(2-methylpropyl)-1,4,7,13,16,22,25-heptazatricyclo[25.3.0.09,13]triacontane-2,5,8,14,17,20,23,26-octone - C[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)C[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N1)CC(C)C)CC4=CC=CC=C4)CO)CC5=CC=CC=C5	C₄₃H₅₇N₇O₉	816.0
-	methyl 4-[[2-methyl-4-oxo-9-[[(2R)-oxolan-2-yl]methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate - CC1=C(C(=O)C2=C(O1)C3=C(C=C2)OCN(C3)C[C@H]4CCCO4)OC5=CC=C(C=C5)C(=O)OC	C₂₅H₂₅NO₇	451.5
-	[(1R,2Z,4R,8R,9R,11S)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (2S)-2-methylbutanoate - CC[C@H](C)C(=O)O[C@@H]1C[C@@]2(CC[C@@](O2)(/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)O)C	C₂₀H₂₈O₆	364.4
-	3-(3,4,5-Trimethoxyphenyl)prop-1-enyl 2-methylbut-2-enoate - CC=C(C)C(=O)OC=CCC1=CC(=C(C(=C1)OC)OC)OC	C₁₇H₂₂O₅	306.4
-	2-methyl-3-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-yl]quinazolin-4-one - CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC=N3)[C@@H]4CCCN4C	C₁₉H₂₀N₄O	320.4
-	1-hexadecanoyl-2-(11Z-eicosenoyl)-3-(13Z-docosenoyl)-sn-glycerol - CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC	C₆₁H₁₁₄O₆	943.6