| Properties | Image |
|---|
| MNX_ID | MNXM105347 |
 |
| reference | metacycM:CPD-14208 |
| formula | C18H38N3O11 |
| global charge | 3 |
| mol weight | 472.512 |
| InChIKey | AMZLXMARJVOBPW-ZMIZJJJXSA-Q |
| InChI | InChI=1S/C18H35N3O11/c1-4(22)14-11(26)10(25)8(21)17(30-14)31-15-5(19)2-6(20)16(13(15)28)32-18-12(27)9(24)7(23)3-29-18/h4-18,22-28H,2-3,19-21H2,1H3/p+3/t4?,5-,6+,7+,8+,9-,10+,11-,12+,13-,14+,15+,16-,17+,18+/m0/s1 |
| SMILES | CC(O)[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C18H35N3O11/c1-4(22)14-11(26)10(25)8(21)17(30-14)31-15-5(19)2-6(20)16(13(15)28)32-18-12(27)9(24)7(23)3-29-18/h4-18,22-28H,2-3,19-21H2,1H3/t4?,5-,6+,7+,8+,9-,10+,11-,12+,13-,14+,15+,16-,17+,18+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:4]([C@@H:14]1[C@@H:11]([OH:26])[C@H:10]([OH:25])[C@@H:8]([NH2:21])[C@@H:17]([O:31][C@@H:15]2[C@@H:5]([NH2:19])[CH2:2][C@@H:6]([NH2:20])[C@H:16]([O:32][C@@H:18]3[C@H:12]([OH:27])[C@@H:9]([OH:24])[C@H:7]([OH:23])[CH2:3][O:29]3)[C@H:13]2[OH:28])[O:30]1)[OH:22] |
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