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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(1S,2S,5S,8S)-1,4,4,8-tetramethyl-12-oxatricyclo[6.3.1.02,5]dodecane - C[C@@]12CCC[C@](O1)([C@H]3CC([C@H]3CC2)(C)C)C	C₁₅H₂₆O	222.37
-	[(2S,4S,5S,6S,9R,12R,13R,16S,18R)-16-[(2S,3R,4R,5R)-3-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-5-sulfooxyoxan-2-yl]oxy-5-hydroxy-2,6,13,17,17-pentamethyl-6-[(1Z)-4-methylpenta-1,3-dienyl]-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-4-yl] acetate - CC(=C/C=C\[C@]1([C@]2([C@H](C[C@@]3([C@@]2(CC[C@H]4C3=CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H](CO6)OS(=O)(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)OC)O)O)O)O)C)C(=O)O1)C)OC(=O)C)O)C)C	C₅₄H₈₂O₂₆S	1179.3
-	Scaberoside Hg - C[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@@H](CO[C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4[C@@H]([C@@H]([C@@H](CO4)O)O[C@@H]5[C@@H]([C@@H]([C@@H](CO5)O)O)O)O)O)O)OC(=O)[C@]67CCC(C[C@@H]6C8=CC[C@@H]9[C@]1(CC[C@@H](C([C@H]1CC[C@]9([C@]8(C[C@H]7O)C)C)(C)C)O[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)C(=O)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)C)(C)C)O)O)O)O	C₆₉H₁₁₀O₃₅	1499.6
-	1-hydroxy-4-[(4R)-5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl]-3,5,6-trimethoxy-10H-acridin-9-one - CC1(C[C@@H](C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C4=C(C=C(C5=C4NC6=C(C5=O)C=CC(=C6OC)OC)O)OC)C	C₄₀H₄₃NO₉	681.8
-	3-[(3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2-(2-hydroxy-4-methoxyphenyl)-4H-chromen-7-ol - COC1=CC(=C(C=C1)[C@H]2CC3=CC(=C(C=C3OC2)O)C4=C(OC5=C(C4)C=CC(=C5)O)C6=C(C=C(C=C6)OC)O)O	C₃₂H₂₈O₈	540.6
-	1-Oleoyl-2-lignoceroyl-3-eicosenoyl-glycerol - CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC	C₆₅H₁₂₂O₆	999.7
-	(2R)-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2R)-2-[[2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl]oxyacetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoic acid - CC(C)C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)COC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC5=C(C=C4)OCCO5	C₄₂H₄₉N₇O₁₁	827.9
-	Pelargonidin 3-O-glucosyl-rutinoside - C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC=C(C=C5)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H](C(O6)CO)O)O)O)O)O)O)O)O	C₃₃H₄₁O₁₉+	741.7
-	2-[(3S,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-phenylacetamide - CC[C@@H]1CN(CC[C@H]1CC(=O)NC2=CC=CC=C2)C(=O)N3CCOCC3	C₂₀H₂₉N₃O₃	359.5
-	TG(18:0/14:0/18:4(6Z,9Z,12Z,15Z)) - CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCCCCCC	C₅₃H₉₄O₆	827.3