生物智能计算平台


化合物信息

名称 内容
kegg编号 C17966
pubchemid 96024186
name Shionone
formula C30H50O
structure
Isomeric_Smiles CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=NC=CC4=CC=CC=C43
Cannoical_Smiles CC1=CC2=C(C=C1C)C(NCC2)C3=NC=CC4=CC=CC=C43
Gotenzyme_Smiles CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)C1