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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	DG(18:3(6Z,9Z,12Z)/20:0/0:0) - CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC	C₄₁H₇₄O₅	647.0
992-67-6	crotonoyl-CoA - C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](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	C₂₅H₄₀N₇O₁₇P₃S	835.6
-	methyl 2-[(1S,2R,3R,4R,15R,16R,17R,18S,32R,34S,35S)-2,16,17,35-tetraacetyloxy-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.14,15.01,15.03,32.023,28]pentatriaconta-23(28),24,26-trien-11-yl]acetate - CC1CCC(=O)C(C(=O)OC[C@]23[C@@H]([C@@H]([C@@H]4[C@H]([C@]25[C@@]([C@H]([C@@H]([C@@H]3OC(=O)C)OC(=O)C)OC(=O)C(C(C6=C(C=NC=C6)C(=O)OC[C@@]4(O5)C)C)(C)O)(C)O)OC(=O)C)OC1=O)OC(=O)C)CC(=O)OC	C₄₅H₅₅NO₂₂	961.9
76338-50-6	(1S)-1,25-dihydroxy-24-oxocalciol - C[C@H](CCC(=O)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	C₂₇H₄₂O₄	430.6
-	N-[2-(4-hydroxyphenyl)ethyl]-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide - C1=CC=C2C(=C1)C(=CN2)CCN3C(=O)[C@@H](NC3=O)CC(=O)NCCC4=CC=C(C=C4)O	C₂₃H₂₄N₄O₄	420.5
-	N-tricosanoylsphinganine-1-phosphocholine - CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](CCCCCCCCCCCCCCC)O	C₄₆H₉₅N₂O₆P	803.2
-	N-henicosanoylsphinganine-1-phosphocholine - CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](CCCCCCCCCCCCCCC)O	C₄₄H₉₁N₂O₆P	775.2
-	EI-1625-2 - CCCCC(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	C₂₇H₃₂N₂O₇	496.6
-	Elaeodendroside G - CC(=O)O[C@H]1C[C@@]2([C@@H]3CCC4=C[C@@H]5[C@@H](C[C@@]4([C@H]3CC[C@@]2([C@H]1C6=CC(=O)OC6)C)C)O[C@]7([C@@H](CCO[C@H]7O5)OC)O)O	C₃₁H₄₂O₁₀	574.7
-	2-epi-Valiolone - C1C(=O)[C@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O	C₇H₁₂O₆	192.17