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CAS No.	英文名/中文名/SMILES	分子式	分子量
288862-58-8	1-([1,3]Oxazolo[4,5-b]pyridin-2-yl)octadec-9-en-1-one - CCCCCCCCC=CCCCCCCCC(=O)C1=NC2=C(O1)C=CC=N2	C₂₄H₃₆N₂O₂	384.6
-	6-Amino-2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]hexanoic acid - C1=CC=C(C=C1)CC(C(=O)NCC(=O)NC(CCCCN)C(=O)O)N	C₁₇H₂₆N₄O₄	350.4
89461-65-4	Leukotriene E4 methyl ester - CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)OC)O)SCC(C(=O)O)N	C₂₄H₃₉NO₅S	453.6
77282-69-0	5-O-Methylsulochrin - CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2OC)OC)C(=O)OC)O	C₁₈H₁₈O₇	346.3
-	Scytophycin C - C[C@@H]1[C@H](C[C@@H]2CC=C[C@H](O2)C[C@H](C/C=C(/C=C/C(=O)O[C@@H]([C@H]([C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC)O)\C)O)OC	C₄₅H₇₅NO₁₁	806.1
-	NCGC00380737-01_C17H26O11_Methyl (1S,4aS,6R,7R,7aR)-1-(beta-D-glucopyranosyloxy)-5,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate - C[C@@H]1[C@@H]2[C@H](C([C@@H]1O)O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC	C₁₇H₂₆O₁₁	406.4
-	Cambridge id 6875303 - CC1=NC(=CS1)C2=COC3=C(C2=O)C=CC(=C3O)O	C₁₃H₉NO₄S	275.28
-	1-(5-Bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-(1-piperidinyl)propan-1-OL hydrochloride - C1CCN(CC1)CCC(C2C[C@H]3C[C@@H]2C=C3)(C4=CC=CC=C4)O.Cl	C₂₁H₃₀ClNO	347.9
4720-09-6	Grayanotoxin I - CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H]([C@]4([C@H]([C@]3(C)O)C[C@@H](C4(C)C)O)O)O)C[C@@]2(C)O	C₂₂H₃₆O₇	412.5
-	3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(2-morpholinoethyl)propanamide - CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCCN4CCOCC4)C	C₂₂H₂₆N₂O₅	398.5