| Properties | Image |
|---|
| MNX_ID | MNXM1129828 |
 |
| reference | chebi:177653 |
| formula | C13H19NO5 |
| global charge | 0 |
| mol weight | 269.297 |
| InChIKey | YWAVLHZJMWEYTA-YDALLXLXSA-N |
| InChI | InChI=1S/C13H17NO4.H2O/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10;/h4-7,12,16H,3,8H2,1-2H3,(H,14,15);1H2/t12-;/m0./s1 |
| SMILES | CCOC(=O)[C@H](CC1=CC=C(O)C=C1)NC(C)=O.O |
MNX internals
| InChI (mnx) | InChI=1/C13H17NO4.H2O/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10;/h4-7,12,16H,3,8H2,1-2H3,(H,14,15);1H2/t12-;/m0./s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][O:18][C:13]([C@H:12]([CH2:8][C:10]1=[CH:5][CH:7]=[C:11]([OH:16])[CH:6]=[CH:4]1)[N:14]=[C:9]([CH3:2])[OH:15])=[O:17].[OH2:19] |
|