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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	1-Oleoyl-2-myristoyl-3-homo-g-linolenoyl-glycerol - CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC	C₅₅H₉₈O₆	855.4
-	(2S)-3-[(S)-[(2R,3R,4R,5S,6R)-5-[[6-(3,5-dimethylphenyl)-1H-pyrrolo[3,4-b]pyrrol-5-yl]oxy]-3,4-dihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]-hydroxymethoxy]-2-(methylaminomethyl)-3-oxopropanoic acid - CC1=CC(=CC(=C1)C2=C3C(=CN2O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4OC5=CC6=C(C=C5)C(=O)C(=CO6)C7=CC=C(C=C7)O)[C@@H](O)OC(=O)[C@@H](CNC)C(=O)O)O)O)C=CN3)C	C₄₀H₃₉N₃O₁₃	769.7
-	(7R,20S)-12-[(2S)-4-hydroxy-1-methoxybutan-2-yl]-13-(hydroxymethyl)-19,19-dimethyl-23-propan-2-ylidene-6,10,18,21-tetraoxapentacyclo[24.2.2.07,20.08,17.09,14]triaconta-1(29),8(17),9(14),12,15,26(30),27-heptaene-5,11,22-trione - CC(=C1CCC2=CC=C(CCCC(=O)O[C@H]3[C@@H](C(OC4=C3C5=C(C=C4)C(=C(C(=O)O5)[C@H](CCO)COC)CO)(C)C)OC1=O)C=C2)C	C₃₇H₄₄O₁₀	648.7
-	[(2S,3R,5R,9R,10R,13R,14S,17S)-2-acetyloxy-17-[(2R,3R)-3,6-diacetyloxy-2-hydroxy-6-methylheptan-2-yl]-14-hydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate - CC(=O)O[C@@H]1C[C@H]2C(=O)C=C3[C@@H]([C@]2(C[C@@H]1OC(=O)C)C)CC[C@]4([C@]3(CC[C@@H]4[C@](C)([C@@H](CCC(C)(C)OC(=O)C)OC(=O)C)O)O)C	C₃₅H₅₂O₁₁	648.8
-	[(2R)-2,3-bis[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]propyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate - CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	C₃₃H₅₆O₁₄	676.8
-	(4S,13R)-13-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxypyrrolidin-2-yl]tridecane-1,4,13-triol - CO[C@@H]1[C@H]([C@@H]([C@H](N1)[C@@H](CCCCCCCC[C@@H](CCCO)O)O)O)O	C₁₈H₃₇NO₆	363.5
-	[(1S,2R,3R,4S,5R,6S,8S,9S,10S,13S,16R,17R)-11-ethyl-8,16-dihydroxy-6,13-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate - CCN1C[C@@]2(CC[C@H]([C@@]34[C@H]2C[C@@H]([C@@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)/C=C/C7=CC(=C(C=C7)OC)OC)OC)O)O)OC	C₃₃H₄₅NO₈	583.7
-	(2S,6S,8aS)-2-[(1S,2R,3R)-3-[(2R)-5,6-dimethylheptan-2-yl]-2-(2-hydroxyethyl)-2-methylcyclopentyl]-6-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one - C[C@H](CCC(C)C(C)C)[C@H]1CC[C@H]([C@]1(C)CCO)[C@@H]2CC=C3C[C@H](CC[C@@]3(C2=O)C)O	C₂₈H₄₈O₃	432.7
743402-60-0	Vitisin A (pyranoanthocyanin) - COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=O)C=C4OC(=C3C=O)O)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	C₂₆H₂₄O₁₄	560.5
-	N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide - COCCCN(C[C@@H]1CCCN2[C@@H]1CCCC2)C(=O)CC[C@H]3C(=O)N(C(=O)N3)CC4=CC=CO4	C₂₅H₃₈N₄O₅	474.6