| Properties | Image |
|---|
| MNX_ID | MNXM1195713 |
 |
| reference | envipathM:...91e868cae2be |
| formula | C21H28N2O8 |
| global charge | 0 |
| mol weight | 436.461 |
| InChIKey | GMXQJRRYRKAXCW-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H28N2O8/c1-14-5-4-6-15(13-25)16(14)21(28)17(31-19(27)30-12-11-24)20(22(2)18(21)26)7-9-23(29-3)10-8-20/h4-6,11,17,25,28H,7-10,12-13H2,1-3H3 |
| SMILES | CON1CCC2(CC1)C(OC(=O)OCC=O)C(O)(C1=C(CO)C=CC=C1C)C(=O)N2C |
MNX internals
| InChI (mnx) | InChI=1/C21H28N2O8/c1-14-5-4-6-15(13-25)16(14)21(28)17(31-19(27)30-12-11-24)20(22(2)18(21)26)7-9-23(29-3)10-8-20/h4-6,11,17,25,28H,7-10,12-13H2,1-3H3/t17?,21? |
 |
| SMILES (mnx) | [CH3:1][C:14]1=[C:16]([C:21]2([OH:28])[CH:17]([O:31][C:19](=[O:27])[O:30][CH2:12][CH:11]=[O:24])[C:20]3([CH2:7][CH2:9][N:23]([O:29][CH3:3])[CH2:10][CH2:8]3)[N:22]([CH3:2])[C:18]2=[O:26])[C:15]([CH2:13][OH:25])=[CH:6][CH:4]=[CH:5]1 |
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