| Properties | Image |
|---|
| MNX_ID | MNXM22134 |
 |
| reference | metacycM:CPD-4622 |
| formula | C22H33N5O11 |
| global charge | 0 |
| mol weight | 543.53 |
| InChIKey | DTPCZPXFOQSQNC-YDZGMUMUSA-N |
| InChI | InChI=1S/C22H33N5O11/c1-9(6-36-22-18(35)16(33)14(31)11(5-29)38-22)2-3-23-19-12-20(25-7-24-19)27(8-26-12)21-17(34)15(32)13(30)10(4-28)37-21/h2,7-8,10-11,13-18,21-22,28-35H,3-6H2,1H3,(H,23,24,25)/b9-2+/t10-,11-,13-,14-,15+,16+,17-,18-,21+,22+/m1/s1 |
| SMILES | C/C(=C\CNC1=NC=NC2=C1N=CN2[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H33N5O11/c1-9(6-36-22-18(35)16(33)14(31)11(5-29)38-22)2-3-23-19-12-20(25-7-24-19)27(8-26-12)21-17(34)15(32)13(30)10(4-28)37-21/h2,7-8,10-11,13-18,21-22,28-35H,3-6H2,1H3,(H,23,24,25)/b9-2+/t10-,11-,13-,14-,15+,16+,17-,18-,21+,22+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:9](=[CH:2]\[CH2:3][NH:23][C:19]1=[C:12]2[C:20](=[N:25][CH:7]=[N:24]1)[N:27]([C@@H:21]1[C@H:17]([OH:34])[C@@H:15]([OH:32])[C@H:13]([OH:30])[C@@H:10]([CH2:4][OH:28])[O:37]1)[CH:8]=[N:26]2)[CH2:6][O:36][C@@H:22]1[C@H:18]([OH:35])[C@@H:16]([OH:33])[C@H:14]([OH:31])[C@@H:11]([CH2:5][OH:29])[O:38]1 |
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