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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 C16980
pubchemid 96023466
name Isorhynchophylline
formula C22H28N2O4
structure
Isomeric_Smiles C1CN[C@@H](C2=CC(=C(C=C21)F)O)C3=CN=NC=C3
Cannoical_Smiles C1CNC(C2=CC(=C(C=C21)F)O)C3=CN=NC=C3
Gotenzyme_Smiles CC[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC