生物智能计算平台

化合物信息

名称 内容
kegg编号 C12967
pubchemid 583356
name Tocoretinate
formula C49H76O3
structure
Isomeric_Smiles CCC1=C(C(=O)NC(=O)N1)N2CCN(CC2)C3=CC=CC=C3
Cannoical_Smiles CCC1=C(C(=O)NC(=O)N1)N2CCN(CC2)C3=CC=CC=C3
Gotenzyme_Smiles CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Oc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)C(C)(C)CCC1