| Properties | Image |
|---|
| MNX_ID | MNXM1192783 |
 |
| reference | envipathM:...f8963b8f6db6 |
| formula | C20H22NO5 |
| global charge | -1 |
| mol weight | 356.398 |
| InChIKey | XHVJFPAQIFXJLU-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H23NO5/c1-19(26,21-2)13-20(14-9-5-3-6-10-14,15-11-7-4-8-12-15)17(23)16(22)18(24)25/h3-12,16,21-22,26H,13H2,1-2H3,(H,24,25)/p-1 |
| SMILES | CNC(C)(O)CC(C(=O)C(O)C(=O)[O-])(C1=CC=CC=C1)C1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H23NO5/c1-19(26,21-2)13-20(14-9-5-3-6-10-14,15-11-7-4-8-12-15)17(23)16(22)18(24)25/h3-12,16,21-22,26H,13H2,1-2H3,(H,24,25)/t16?,19? |
 |
| SMILES (mnx) | [CH3:1][C:19]([CH2:13][C:20]([C:14]1=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]1)([C:15]1=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]1)[C:17]([CH:16]([C:18](=[O:24])[OH:25])[OH:22])=[O:23])([NH:21][CH3:2])[OH:26] |
|