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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 C16972
pubchemid 96023458
name Hirsutine
formula C22H28N2O3
structure
Isomeric_Smiles C1C[C@@H](CC=C1)[C@@H]2C3=C(CCN2)C=CC(=C3F)O
Cannoical_Smiles C1CC(CC=C1)C2C3=C(CCN2)C=CC(=C3F)O
Gotenzyme_Smiles CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC