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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C14898
pubchemid 17395896
name 4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone
formula C16H18O2
structure
Isomeric_Smiles CC1CC1C(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)F
Cannoical_Smiles CC1CC1C(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)F
Gotenzyme_Smiles O=C1C=C2CCC(c3ccc(O)cc3)CC2CC1