| Properties | Image |
|---|
| MNX_ID | MNXM164181 |
 |
| reference | chebi:190280 |
| formula | C17H31N3O11 |
| global charge | 0 |
| mol weight | 453.445 |
| InChIKey | CFDCWVXMSQIKQJ-FHQZWOFOSA-N |
| InChI | InChI=1S/C17H31N3O11/c18-4-1-5(19)15(31-17-12(26)9(23)6(22)3-28-17)13(27)14(4)30-16-8(20)11(25)10(24)7(2-21)29-16/h4-8,10-17,21-22,24-27H,1-3,18-20H2/t4-,5+,6+,7+,8+,10+,11+,12+,13-,14+,15-,16+,17+/m0/s1 |
| SMILES | N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@@H](O)C(=O)[C@H]3O)[C@H](N)C[C@@H]2N)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C17H31N3O11/c18-4-1-5(19)15(31-17-12(26)9(23)6(22)3-28-17)13(27)14(4)30-16-8(20)11(25)10(24)7(2-21)29-16/h4-8,10-17,21-22,24-27H,1-3,18-20H2/t4-,5+,6+,7+,8+,10+,11+,12+,13-,14+,15-,16+,17+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[C@H:4]([NH2:18])[C@@H:14]([O:30][C@@H:16]2[C@H:8]([NH2:20])[C@@H:11]([OH:25])[C@H:10]([OH:24])[C@@H:7]([CH2:2][OH:21])[O:29]2)[C@H:13]([OH:27])[C@@H:15]([O:31][C@@H:17]2[C@H:12]([OH:26])[C:9](=[O:23])[C@H:6]([OH:22])[CH2:3][O:28]2)[C@@H:5]1[NH2:19] |
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