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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	Tomentodiplacol - CC(=C)C(CC/C(=C/CC1=C(C2=C(C=C1O)O[C@@H]([C@H](C2=O)O)C3=CC(=C(C=C3)O)OC)O)/C)O	C₂₆H₃₀O₈	470.5
50-14-6	5,6-trans-Vitamin D2 - C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C	C₂₈H₄₄O	396.6
619-52-3	Cyclohexene, 4-methyl-1-(1-methylethyl)-, (R)- - C[C@@H]1CCC(=CC1)C(C)C	C₁₀H₁₈	138.25
-	1-ethyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide - CCN1CCCCC1C(=O)NC2=NC=CS2	C₁₁H₁₇N₃OS	239.34
-	3-[[4-[1-(2-Amino-5-methylthiophen-3-yl)ethenylamino]piperidin-1-yl]methyl]benzonitrile - CC1=CC(=C(S1)N)C(=C)NC2CCN(CC2)CC3=CC(=CC=C3)C#N	C₂₀H₂₄N₄S	352.5
-	[2,2,6,6-Tetramethyl-1-(2-methylprop-2-enoyloxy)piperidin-4-yl] benzoate - CC(=C)C(=O)ON1C(CC(CC1(C)C)OC(=O)C2=CC=CC=C2)(C)C	C₂₀H₂₇NO₄	345.4
-	(4aR,6aS,6aS,6bS,8aR,9S,12aS,14bS)-10-[(2S)-3-[(2R)-3,5-dihydroxy-6-methyl-4-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid - CC1C(C(C([C@H](O1)OC2[C@@H](OCC(C2O)O)OC3CC[C@@]4([C@H]([C@@]3(C)CO)CC[C@]5([C@H]4CC=C6[C@]5(CC[C@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O[C@@H]8C(C(C(C(O8)CO)O)O)O)O	C₄₇H₇₆O₁₇	913.1
-	(12R)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol - CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC(=C(C=C54)OC)O)OCO3	C₁₉H₁₉NO₄	325.4
-	1beta,2alpha-epoxytagitinin C - C/C/1=C/[C@@H]2[C@@H]([C@@H](C[C@@]([C@H]3[C@H](C1=O)O3)(C)O)OC(=O)C(C)C)C(=C)C(=O)O2	C₁₉H₂₄O₇	364.4
-	(4aS,6aR,6aR,6bR,8aS,10S,11S,12aS,14bS)-11-hydroxy-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6b,9,9,12a-hexamethyl-3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid - C[C@@]12CC[C@H]3[C@]([C@@H]1CC=C4[C@@H]2CC[C@]5([C@H]4CC(CC5)(C)C)C(=O)O)(C[C@@H]([C@H](C3(C)C)OC(=O)/C=C/C6=CC=C(C=C6)O)O)C	C₃₈H₅₂O₆	604.8