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CAS No.	英文名/中文名/SMILES	分子式	分子量
3661-77-6	Cycloheptadecanone - C1CCCCCCCCC(=O)CCCCCCC1	C₁₇H₃₂O	252.4
-	(3S,3aR,8aR,9aR)-3-[[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one - CC1=CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN4CCN(CC4)[C@H](C5=CC=CC=C5)C6=CC=C(C=C6)Cl)C	C₃₂H₃₇ClN₂O₂	517.1
-	(2R,3R,4S,5S,6R)-2-[[(3S,8R,9R,10R,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol - CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C	C₃₅H₆₀O₆	576.8
-	(2r)-3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol - COC1=C(C=CC(=C1)C[C@H](CO)O)O	C₁₀H₁₄O₄	198.22
-	(E)-3-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal - C1=CC2=C(C=C1/C=C/C=O)[C@H]([C@@H](O2)C3=CC(=C(C=C3)O)O)CO	C₁₈H₁₆O₅	312.3
-	N-[(2R)-1-phenylpropan-2-yl]-3-[[(2S)-1-phenylpropan-2-yl]amino]propanamide - C[C@@H](CC1=CC=CC=C1)NCCC(=O)N[C@H](C)CC2=CC=CC=C2	C₂₁H₂₈N₂O	324.5
-	3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-propylbenzamide - CCCNC(=O)C1=CC=CC(=C1)C2=NC=CC(=N2)OC3=CC=C(C=C3)OC	C₂₁H₂₁N₃O₃	363.4
-	2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-1-morpholin-4-ylethanone - CC[C@@H]1CN(CC[C@H]1CC(=O)N2CCOCC2)C(=O)C3=CC=CC=C3	C₂₀H₂₈N₂O₃	344.4
-	[2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[2-[2-[4-[5-[3-[3-(butylamino)propylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-1-(1-hydroxycyclopropyl)-2-oxoethyl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate - CCCCNCCCNCCCNC(=O)C1=CN=C(S1)C2=CSC(=N2)CCNC(=O)C(C3(CC3)O)NC(=O)C(C)C(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O	C₆₁H₉₅N₁₉O₂₁S₂	1494.7
-	8-[6-(5,7-Dihydroxy-4-oxochromen-2-yl)-2,3-dihydroxyphenyl]-2-[2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4-dihydroxyphenyl]-5,7-dihydroxychromen-4-one - C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=CC(=C4O)O)C5=CC(=O)C6=C(O5)C(=C(C=C6O)O)C7=C(C=CC(=C7O)O)C8=CC(=O)C9=C(C=C(C=C9O8)O)O)O)O)O	C₄₅H₂₆O₁₈	854.7