| Properties | Image |
|---|
| MNX_ID | MNXM22013 |
 |
| reference | metacycM:CPD490-7 |
| formula | C15H25N5O8 |
| global charge | 0 |
| mol weight | 403.392 |
| InChIKey | SWJBYJXTNZNTIR-CFDRAPQQSA-N |
| InChI | InChI=1S/C15H25N5O8/c1-4(27-14-11(25)10(24)9(23)6(3-21)28-14)8(22)5-2-17-12-7(18-5)13(26)20-15(16)19-12/h4-6,8-11,14,18,21-25H,2-3H2,1H3,(H4,16,17,19,20,26)/t4?,5-,6-,8?,9-,10+,11-,14-/m1/s1 |
| SMILES | CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)[C@H]1CNC2=C(N1)C(=O)NC(N)=N2 |
MNX internals
| InChI (mnx) | InChI=1/C15H25N5O8/c1-4(27-14-11(25)10(24)9(23)6(3-21)28-14)8(22)5-2-17-12-7(18-5)13(26)20-15(16)19-12/h4-6,8-11,14,18,21-25H,2-3H2,1H3,(H4,16,17,19,20,26)/t4?,5-,6-,8?,9-,10+,11-,14-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:4]([CH:8]([C@H:5]1[CH2:2][NH:17][C:12]2=[C:7]([C:13]([OH:26])=[N:20][C:15](=[NH:16])[NH:19]2)[NH:18]1)[OH:22])[O:27][C@H:14]1[C@H:11]([OH:25])[C@@H:10]([OH:24])[C@H:9]([OH:23])[C@@H:6]([CH2:3][OH:21])[O:28]1 |
|