| Properties | Image |
| MNX_ID | MNXM167842 |
 |
| reference | sabiorkM:25672 |
| formula | C14H19N3O5 |
| global charge | 0 |
| mol weight | 309.322 |
| InChIKey | QIZJOTQTCAGKPU-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H19N3O5/c1-8(16-12(19)7-15)13(20)17-11(14(21)22)6-9-2-4-10(18)5-3-9/h2-5,8,11,18H,6-7,15H2,1H3,(H,16,19)(H,17,20)(H,21,22) |
| SMILES | CC(N=C(O)CN)C(O)=NC(CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H19N3O5/c1-8(16-12(19)7-15)13(20)17-11(14(21)22)6-9-2-4-10(18)5-3-9/h2-5,8,11,18H,6-7,15H2,1H3,(H,16,19)(H,17,20)(H,21,22)/t8?,11? |
 |
| SMILES (mnx) | [CH3:1][CH:8]([C:13](=[N:17][CH:11]([CH2:6][C:9]1=[CH:3][CH:5]=[C:10]([OH:18])[CH:4]=[CH:2]1)[C:14](=[O:21])[OH:22])[OH:20])[N:16]=[C:12]([CH2:7][NH2:15])[OH:19] |
|