| Properties | Image |
|---|
| MNX_ID | MNXM1178074 |
 |
| reference | envipathM:...9632f8f7ae2e |
| formula | C13H23N2O9 |
| global charge | -1 |
| mol weight | 351.332 |
| InChIKey | JJIYQNGZNOXYLT-UHFFFAOYSA-M |
| InChI | InChI=1S/C13H24N2O9/c1-7(17)13(24,12(3,23)10(20)11(21)22)14-9(19)6-15(4-5-16)8(2)18/h7-8,16-18,23-24H,4-6H2,1-3H3,(H,14,19)(H,21,22)/p-1 |
| SMILES | CC(O)N(CCO)C/C(O)=N/C(O)(C(C)O)C(C)(O)C(=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C13H24N2O9/c1-7(17)13(24,12(3,23)10(20)11(21)22)14-9(19)6-15(4-5-16)8(2)18/h7-8,16-18,23-24H,4-6H2,1-3H3,(H,14,19)(H,21,22)/t7?,8?,12?,13? |
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| SMILES (mnx) | [CH3:1][CH:7]([C:13]([C:12]([CH3:3])([C:10]([C:11]([OH:21])=[O:22])=[O:20])[OH:23])([N:14]=[C:9]([CH2:6][N:15]([CH2:4][CH2:5][OH:16])[CH:8]([CH3:2])[OH:18])[OH:19])[OH:24])[OH:17] |
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