| Properties | Image |
|---|
| MNX_ID | MNXM1100565 |
 |
| reference | metacycM:CPD-19365 |
| formula | C25H38N4O16 |
| global charge | 0 |
| mol weight | 650.591 |
| InChIKey | QOPXETCBORBLIL-BQWTVJSKSA-N |
| InChI | InChI=1S/C25H38N4O16/c1-7(31)26-13-17(37)15(35)10(42-23(13)45-24-14(27-8(2)32)18(38)16(36)11(6-30)43-24)5-9(33)21-19(39)20(40)22(44-21)29-4-3-12(34)28-25(29)41/h3-4,9-11,13-24,30,33,35-40H,5-6H2,1-2H3,(H,26,31)(H,27,32)(H,28,34,41)/t9?,10-,11-,13-,14-,15+,16-,17-,18-,19+,20-,21-,22-,23+,24-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CC(O)[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H38N4O16/c1-7(31)26-13-17(37)15(35)10(42-23(13)45-24-14(27-8(2)32)18(38)16(36)11(6-30)43-24)5-9(33)21-19(39)20(40)22(44-21)29-4-3-12(34)28-25(29)41/h3-4,9-11,13-24,30,33,35-40H,5-6H2,1-2H3,(H,26,31)(H,27,32)(H,28,34,41)/t9?,10-,11-,13-,14-,15+,16-,17-,18-,19+,20-,21-,22-,23+,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:7](=[N:26][C@@H:13]1[C@@H:17]([OH:37])[C@@H:15]([OH:35])[C@@H:10]([CH2:5][CH:9]([C@@H:21]2[C@@H:19]([OH:39])[C@@H:20]([OH:40])[C@H:22]([N:29]3[CH:4]=[CH:3][C:12]([OH:34])=[N:28][C:25]3=[O:41])[O:44]2)[OH:33])[O:42][C@H:23]1[O:45][C@@H:24]1[C@H:14]([N:27]=[C:8]([CH3:2])[OH:32])[C@@H:18]([OH:38])[C@H:16]([OH:36])[C@@H:11]([CH2:6][OH:30])[O:43]1)[OH:31] |
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