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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(1S,2R,5S,17R,18R,19R,24R,25S,27R,28R,29R,30R,32R,35S,36S,37S,39R)-32-[(1S)-1-cyclopentylethyl]-37-decyl-27,28,29,36,39-pentahydroxy-14-(hydroxymethyl)-17-(methylamino)-21-oxo-20-oxanonacyclo[28.8.1.118,25.02,28.05,24.05,27.010,15.019,23.035,39]tetraconta-10(15),11,13,22-tetraen-8-yne-1-carbaldehyde - CCCCCCCCCC[C@H]1C[C@@]2([C@H]3CC[C@]45CCC#CC6=C(C[C@H]([C@H]7C[C@H]([C@@H]4C8=CC(=O)O[C@H]78)C[C@@]5([C@@]3([C@@H]([C@@H]9[C@@]2([C@H]([C@H]1O)CC[C@H](C9)[C@@H](C)C1CCCC1)O)O)O)O)NC)C(=CC=C6)CO)C=O	C₅₉H₈₅NO₉	952.3
-	(2S,4aS,6R,6aR,6aS,6bR,8aS,9R,10S,11R,12S,12aR,14bS)-6-ethyl-11-hydroxy-2,9-bis(hydroxymethyl)-12-[[(2R,3S)-2-(1H-imidazol-5-ylmethyl)-5-oxopyrrolidin-3-yl]methyl]-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid - CC[C@@H]1C[C@]2(CC[C@](C[C@H]2C3=CC[C@H]4[C@]([C@]13C)(CC[C@H]5[C@@]4([C@@H]([C@H]([C@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)C[C@H]7CC(=O)N[C@@H]7CC8=CN=CN8)C)C)(C)CO)C(=O)O	C₄₆H₇₁N₃O₁₁	842.1
-	CID 10197243 - C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC(=C(C=C6)O)O)CO)O)O)O)O)O	C₃₂H₃₉O₂₀+	743.6
55786-36-2	Podolide - CC(C)[C@@H]1[C@]23[C@H](O2)[C@@H]4[C@@H]5[C@@](C3=CC(=O)O1)(CC=C[C@@]5(C(=O)O4)C)C	C₁₉H₂₂O₅	330.4
-	1-Stearidonoyl-2-a-linolenoyl-3-eicsoatetraenoyl-glycerol - CC/C=C\C/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)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC	C₅₉H₉₂O₆	897.4
-	(6R)-6-[(1S)-2-[(4S,8S)-13-amino-8-methyl-3-oxa-14-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-9-yn-4-yl]-1-hydroxyethyl]-1-cyclohexyloxy-5,6,7,8-tetrahydronaphthalen-2-ol - C[C@H]1CCC[C@H](OCC2=CN=C(C=C2C#C1)N)C[C@@H]([C@@H]3CCC4=C(C3)C=CC(=C4OC5CCCCC5)O)O	C₃₂H₄₂N₂O₄	518.7
-	13-(Hydroxymethyl)-2,5-dimethyl-8-propan-2-yl-15-oxatetracyclo[10.2.1.02,10.05,9]pentadeca-8,13-diene-1,6-diol - CC(C)C1=C2C3CC4C(=CC(C3(CCC2(C(C1)O)C)C)(O4)O)CO	C₂₀H₃₀O₄	334.4
-	TG(i-12:0/i-17:0/i-22:0) - CC(C)CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C	C₅₄H₁₀₄O₆	849.4
-	1-[(S)-[(1S,3R)-3-[(1R,3'S,4R,6S,7S,10S,12R)-3'-[(2R,4aS,7S,8aR)-7,8a-dihydroxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl]-4,12-dimethyl-9-methylidenespiro[5-oxatricyclo[8.2.0.04,6]dodecane-7,1'-cyclopentane]-12-yl]cyclopentyl]-hydroxymethyl]-2-[2-(2-benzofuran-4-yl)ethyl]guanidine - C[C@@]12CC[C@@H]3[C@H](C[C@]3(C)[C@@H]4CC[C@@H](C4)[C@@H](NC(=NCCC5=CC=CC6=COC=C65)N)O)C(=C)C[C@]7([C@@H]1O2)CC[C@@H](C7)[C@@H]8CC[C@H]9CC[C@@H](C[C@@]9(C8)O)O	C₄₅H₆₅N₃O₅	728.0
-	2-[3-(3,4-dihydroxyphenyl)prop-2-enoylamino]-3-(1H-indol-3-yl)propanoic acid - C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C=CC3=CC(=C(C=C3)O)O	C₂₀H₁₈N₂O₅	366.4