| Properties | Image |
| MNX_ID | MNXM1130088 |
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| reference | keggC:C22255 |
| formula | C13H22N2O8 |
| global charge | 0 |
| mol weight | 334.325 |
| InChIKey | ZJOSXOOPEBJBMC-HFPOIACQSA-N |
| InChI | InChI=1S/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8-,9+,10+,11-,13-/m0/s1 |
| SMILES | CC(=O)N[C@@H]([C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O)[C@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8-,9+,10+,11-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:5]([C@H:9]([C@H:11]1[C@H:10]([N:15]=[C:7]([CH3:3])[OH:18])[C@@H:8]([OH:19])[CH2:4][C@:13]([C:12](=[O:20])[OH:21])([OH:22])[O:23]1)[N:14]=[C:6]([CH3:2])[OH:17])[OH:16] |
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