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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 C09931
pubchemid 12117
name Haematoxylin
formula C16H14O6
structure
Isomeric_Smiles CC(=NC1=CC=CC=C1)NC2=CC=CC=C2
Cannoical_Smiles CC(=NC1=CC=CC=C1)NC2=CC=CC=C2
Gotenzyme_Smiles Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2