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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	N-isopropyl-3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamide - CC1=C(OC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(C)C)C)C)C	C₂₁H₂₅NO₄	355.4
-	(11aR)-8-hydroxy-9-methoxy-1,3,4,6,11,11a-hexahydrobenzo[b]quinolizin-2-one - COC1=C(C=C2CN3CCC(=O)C[C@H]3CC2=C1)O	C₁₄H₁₇NO₃	247.29
-	(4S,6S,8R,10R,12R)-4,6,8,10,12-pentamethoxyheptadec-1-ene - CCCCC[C@H](C[C@H](C[C@H](C[C@H](C[C@H](CC=C)OC)OC)OC)OC)OC	C₂₂H₄₄O₅	388.6
91136-80-0	5-[(5-Carboxyfuran-2-yl)methyl]furan-2-carboxylic acid - C1=C(OC(=C1)C(=O)O)CC2=CC=C(O2)C(=O)O	C₁₁H₈O₆	236.18
-	Callistephin - C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@@H]4C(C([C@@H](C(O4)CO)O)O)O)O)O)O	C₂₁H₂₁O₁₀+	433.4
-	[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodecane-12,2'-oxirane]-4-yl] 3-methylbutanoate - CC1C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C	C₂₄H₃₆O₉	468.5
-	3-(2,2-dimethyloxan-4-yl)-3-[[2-[(Z)-[(10R,13S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyacetyl]amino]propanoic acid - C[C@]12CCC3C(C1CCC2O)CCC4=C/C(=N\OCC(=O)NC(CC(=O)O)C5CCOC(C5)(C)C)/CC[C@]34C	C₃₁H₄₈N₂O₆	544.7
-	[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(1S,5R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] icosa-8,11,14-trienoate - CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC=CCC=CCC=CCCCCC	C₄₅H₈₂O₁₆P₂	941.1
-	(3aR,4S,6R,7R,7aS)-3-(3-cyanophenyl)-6,7-dihydroxy-N-phenyl-2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-4-carboxamide - C1[C@@H]([C@@H]2[C@@H]([C@H]([C@@H]1O)O)NC(=S)N2C3=CC=CC(=C3)C#N)C(=O)NC4=CC=CC=C4	C₂₁H₂₀N₄O₃S	408.5
-	N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]acetamide - CC1CCN(CC1)C(=O)C[C@@H]2C3=C(C[C@H]4[C@]2(CC[C@H]([C@@]4(C)CO)O)C)SC(=N3)NC(=O)C	C₂₄H₃₇N₃O₄S	463.6