| Properties | Image |
|---|
| MNX_ID | MNXM1176150 |
 |
| reference | envipathM:...036afbba1abf |
| formula | C16H23NO8 |
| global charge | -2 |
| mol weight | 357.359 |
| InChIKey | BQRCAOXNCDSJPT-UHFFFAOYSA-L |
| InChI | InChI=1S/C16H25NO8/c1-5-7-10(18)13(20)17(12(15(23)24)16(3,4)25)8-9(6-2)11(19)14(21)22/h6,9-10,12,18,25H,2,5,7-8H2,1,3-4H3,(H,21,22)(H,23,24)/p-2 |
| SMILES | C=CC(CN(C(=O)C(O)CCC)C(C(=O)[O-])C(C)(C)O)C(=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C16H25NO8/c1-5-7-10(18)13(20)17(12(15(23)24)16(3,4)25)8-9(6-2)11(19)14(21)22/h6,9-10,12,18,25H,2,5,7-8H2,1,3-4H3,(H,21,22)(H,23,24)/t9?,10?,12? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH:10]([C:13]([N:17]([CH2:8][CH:9]([CH:6]=[CH2:2])[C:11]([C:14]([OH:21])=[O:22])=[O:19])[CH:12]([C:15](=[O:23])[OH:24])[C:16]([CH3:3])([CH3:4])[OH:25])=[O:20])[OH:18] |
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