| Properties | Image |
|---|
| MNX_ID | MNXM1138372 |
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| reference | envipathM:...9a7fdffc078c |
| formula | C14H19N2O9 |
| global charge | -3 |
| mol weight | 359.311 |
| InChIKey | KIGIUPYMDOIZBC-WEVVVXLNSA-K |
| InChI | InChI=1S/C14H22N2O9/c1-7(13(22)23)12(9(14(24)25)5-11(20)21)15-10(19)6-16(3-4-17)8(2)18/h5,7-8,12,17-18H,3-4,6H2,1-2H3,(H,15,19)(H,20,21)(H,22,23)(H,24,25)/p-3/b9-5+ |
| SMILES | CC(C(=O)[O-])C(/N=C(\O)CN(CCO)C(C)O)/C(=C\C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C14H22N2O9/c1-7(13(22)23)12(9(14(24)25)5-11(20)21)15-10(19)6-16(3-4-17)8(2)18/h5,7-8,12,17-18H,3-4,6H2,1-2H3,(H,15,19)(H,20,21)(H,22,23)(H,24,25)/b9-5+/t7?,8?,12? |
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| SMILES (mnx) | [CH3:1][CH:7]([CH:12](/[C:9](=[CH:5]\[C:11](=[O:20])[OH:21])[C:14](=[O:24])[OH:25])[N:15]=[C:10]([CH2:6][N:16]([CH2:3][CH2:4][OH:17])[CH:8]([CH3:2])[OH:18])[OH:19])[C:13](=[O:22])[OH:23] |
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