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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	methyl 2-[[(2S)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-3-methylbutanoyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate - CC(C)[C@@H](C(=O)NC1=NC(=C(S1)C2=CC=CC=C2)C(=O)OC)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C	C₃₇H₄₀N₄O₈S	700.8
-	[2-[2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-5-[[(2S,3R)-1-[2-[4-[4-(3-aminopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]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 - CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCN)O	C₅₃H₈₀N₁₈O₂₁S₂	1369.4
-	[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate - C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4C[C@H]([C@@]5([C@H](CC[C@@]5([C@@]4(CC=C3C2)O)O)C(=O)C)C)OC(=O)C)C)O)O[C@H]6C[C@@H]([C@@H]([C@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC)O)O	C₅₄H₈₆O₂₃	1103.2
-	(1S,3R)-1-[2-[(1R,1'S,4R,6S,7S,10S,12R)-12-[(1R,3S)-3-[(1R,2S)-1,2-dihydroxypropyl]cyclopentyl]-4,12-dimethyl-9-methylidenespiro[5-oxatricyclo[8.2.0.04,6]dodecane-7,3'-cyclopentane]-1'-yl]ethyl]cyclohexane-1,3-diol - C[C@@H]([C@@H]([C@H]1CC[C@H](C1)[C@]2(C[C@H]3[C@H]2CC[C@@]4([C@@H](O4)[C@]5(CC[C@H](C5)CC[C@]6(CCC[C@H](C6)O)O)CC3=C)C)C)O)O	C₃₄H₅₆O₅	544.8
-	2-[(8S,9R,10S)-10-[(2'R,3'R,4'R,5S,6'R)-3',4'-dihydroxy-7-(2-hydroxyethyl)-6'-(hydroxymethyl)spiro[1H-pyrano[3,4-b]pyrrole-5,5'-oxane]-2'-yl]oxy-9-ethenyl-7-methoxycarbonylspiro[4.5]dec-6-en-8-yl]acetic acid - COC(=O)C1=CC2(CCCC2)[C@H]([C@@H]([C@@H]1CC(=O)O)C=C)O[C@H]3[C@@H]([C@H]([C@@]4(C=C5C=CNC5=C(O4)CCO)[C@H](O3)CO)O)O	C₃₀H₃₉NO₁₁	589.6
-	[(2S,3R,4S,5R,6R)-5-[(E)-but-2-enoyl]oxy-3-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate - C/C=C/C(=O)O[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3[C@@H]([C@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)O)O)O)O)O)O)OC(=O)[C@]56CCC(C[C@H]5C7=CC[C@H]8[C@]([C@@]7(C[C@H]6O)C)(CC[C@@H]9[C@@]8(C[C@@H]([C@@H]([C@@]9(C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)(C)C)C	C₆₃H₁₀₀O₂₈	1305.4
2693-85-8	3,20-Dioxopregn-4-en-17-yl propanoate - CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)C	C₂₄H₃₄O₄	386.5
-	N-methyl-N-[(1S,5R)-5,8,8-trimethyl-4-oxo-2-bicyclo[3.2.1]oct-2-enyl]nitrous amide - C[C@@]12CC[C@@H](C1(C)C)C(=CC2=O)N(C)N=O	C₁₂H₁₈N₂O₂	222.28
-	(2S,6R)-2-[[(1S,3E)-3-benzylidene-2-oxocyclopentyl]methyl]-6-(cyclohexen-1-yl)cyclohexan-1-one - C1CCC(=CC1)[C@H]2CCC[C@H](C2=O)C[C@@H]3CC/C(=C\C4=CC=CC=C4)/C3=O	C₂₅H₃₀O₂	362.5
-	1-Homo-g-linolenoyl-2-Stearyl-3-osbondoyl-glycerol - CCCCCCCCCCCCCCCCCCO[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC	C₆₃H₁₀₈O₅	945.5