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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0) - CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	C₄₁H₇₀O₅	643.0
3615-17-6	N-Acetyl-D-Mannosamine - CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O	C₈H₁₅NO₆	221.21
-	(2E,6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahepta-2,6,9,12,15,18,21-enoyl-CoA - CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O	C₄₅H₆₈N₇O₁₇P₃S	1104.0
1282609-42-0	Lansic Acid 3-Ethyl Ester - CCOC(=O)CC[C@]1([C@@H](CCC(=C)[C@@H]1CC[C@H]2C(=CC[C@H]([C@]2(C)CCC(=O)O)C(=C)C)C)C(=C)C)C	C₃₂H₅₀O₄	498.7
-	DG(16:0/18:3(9Z,12Z,15Z)/0:0) - CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC	C₃₇H₆₆O₅	590.9
-	(2E,4E,6E)-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-8-methyldeca-2,4,6-trienamide - CCC(C)/C=C/C=C/C=C/C(=O)NC1=C[C@]([C@H]2[C@@H](C1=O)O2)(/C=C/C=C/C=C/C(=O)NC3=C(CCC3=O)O)O	C₂₉H₃₂N₂O₇	520.6
-	N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(2-methylpropyl)glycinamide - CC(C)CNC(=O)CNC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C	C₂₇H₃₅N₃O₆	497.6
-	N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-L-leucinamide - CC(C)C[C@@H](C(=O)NCC1CC2CC1C=C2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C	C₃₅H₄₅N₃O₆	603.7
-	5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(1-methyl-1H-pyrazol-4-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione - CN1C=C(C=N1)C2CC(=O)OC3=C2C4=C(C(=C3)O)C(=O)C=C(O4)C5=CC(=C(C=C5)OC)O	C₂₃H₁₈N₂O₇	434.4
-	3-hydroxy-6-(methoxymethyl)-2-[3-oxo-1-(quinolin-6-yl)-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propyl]-4H-pyran-4-one - COCC1=CC(=O)C(=C(O1)C(CC(=O)N2CCC3=C(C2)NC4=CC=CC=C34)C5=CC6=C(C=C5)N=CC=C6)O	C₃₀H₂₇N₃O₅	509.6