kegg编号 |
C20327 |
pubchemid |
163312065 |
name |
2-Oxo-4-phenylbutyric acid |
formula |
C10H10O3 |
structure |
 |
Isomeric_Smiles |
COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=C(C=C(CNC(=O)CO2)C=C4)OC)C(=O)CC5=CC=NC=C5 |
Cannoical_Smiles |
COC1=C2C=C(C=C1)C(=O)NC3CN(CC3OC4=C(C=C(CNC(=O)CO2)C=C4)OC)C(=O)CC5=CC=NC=C5 |
Gotenzyme_Smiles |
O=C(O)C(=O)CCc1ccccc1 |