科华智慧（深圳）创新药物研发有限公司-天然产物化合物库-创新药物研发-波谱智能解析-化合物冷冻电镜结构解析

天然产物数据库

您可快速检索70万⁺天然产物信息

检索最多: 白僵菌素大品种冬虫夏草人参三七党参大戟决明半夏丁香

CAS No.	英文名/中文名/SMILES	分子式	分子量
-	2-[(4aS,9aR)-2-(3,3-dimethylbutanoyl)-6-oxo-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-7-yl]acetamide - CC(C)(C)CC(=O)N1CC[C@H]2CC(=O)N(CC[C@H]2C1)CC(=O)N	C₁₇H₂₉N₃O₃	323.4
-	TG(i-17:0/a-13:0/10:0)[rac] - CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC	C₄₃H₈₂O₆	695.1
-	5-Desgalloylstachyurin - C1[C@H]([C@@H](OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)[C@H]4[C@@H]5[C@H](C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)O	C₃₄H₂₄O₂₂	784.5
-	(2Z,4E,6R,7R,8E,10Z)-6,7-bis(2,2-dimethoxyethenyl)-2,11-dimethoxydodeca-2,4,8,10-tetraenedioic acid - CO/C(=C\C=C\[C@H]([C@H](C=C(OC)OC)/C=C/C=C(\OC)/C(=O)O)C=C(OC)OC)/C(=O)O	C₂₂H₃₀O₁₀	454.5
-	2-[(1R)-1-ethoxy-3-phenylpropyl]-3,5,6-trimethoxyphenol - CCO[C@H](CCC1=CC=CC=C1)C2=C(C(=C(C=C2OC)OC)OC)O	C₂₀H₂₆O₅	346.4
-	1'-(cyclopropanecarbonyl)-7-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)spiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3'-azetidine]-3-one - CC1=C(N=C(N1)C2=CC=CC=C2)C(=O)N3CCN4C(C3)C5(CN(C5)C(=O)C6CC6)OC4=O	C₂₃H₂₅N₅O₄	435.5
-	(1S,5S,6R,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-21-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19-tetrol - C1[C@H]([C@@H](OC2=C1C(=CC3=C2[C@H]4[C@H]([C@@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O[C@@H]7[C@@H]([C@H]([C@H](CO7)O)O)O)O)C8=CC(=C(C=C8)O)O)O	C₃₅H₃₂O₁₆	708.6
3865-09-6	5-Isopropenyl-2-methylcyclopent-1-enecarboxaldehyde - CC1=C(C(CC1)C(=C)C)C=O	C₁₀H₁₄O	150.22
-	(1R,3R,5R,9R,10R,13R,14S,17S)-1,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3S,5R)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one - C[C@H](C[C@@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3([C@@H](C[C@@H](C4)O)O)C)C)O)O)O)C(C)(C)O	C₂₈H₄₆O₇	494.7
-	methyl 4-(5-(3-amino-1-(3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)-4H-pyran-2-yl)-3-oxopropyl)furan-2-yl)benzoate - COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(CC(=O)N)C3=C(C(=O)C=C(O3)CN4CCCCC4)O	C₂₆H₂₈N₂O₇	480.5