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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 C18192
pubchemid 96024408
name Vitamin D4
formula C28H46O
structure
Isomeric_Smiles CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=CC(=C(C=C3)Cl)C
Cannoical_Smiles CC1=CC2=C(C=C1C)C(NCC2)C3=CC(=C(C=C3)Cl)C
Gotenzyme_Smiles C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C