| Properties | Image |
|---|
| MNX_ID | MNXM1100887 |
 |
| reference | metacycM:CPD-19366 |
| formula | C23H37N4O15 |
| global charge | 1 |
| mol weight | 609.562 |
| InChIKey | IEOHIIKLCPXBPO-KVBMOJSRSA-O |
| InChI | InChI=1S/C23H36N4O15/c1-6(29)25-12-16(35)14(33)9(5-28)40-22(12)42-21-11(24)15(34)13(32)8(39-21)4-7(30)19-17(36)18(37)20(41-19)27-3-2-10(31)26-23(27)38/h2-3,7-9,11-22,28,30,32-37H,4-5,24H2,1H3,(H,25,29)(H,26,31,38)/p+1/t7?,8-,9-,11-,12-,13+,14-,15-,16-,17+,18-,19-,20-,21+,22-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@@H]2O[C@H](CC(O)[C@H]3O[C@@H](N4C=CC(=O)NC4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2[NH3+])O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C23H36N4O15/c1-6(29)25-12-16(35)14(33)9(5-28)40-22(12)42-21-11(24)15(34)13(32)8(39-21)4-7(30)19-17(36)18(37)20(41-19)27-3-2-10(31)26-23(27)38/h2-3,7-9,11-22,28,30,32-37H,4-5,24H2,1H3,(H,25,29)(H,26,31,38)/t7?,8-,9-,11-,12-,13+,14-,15-,16-,17+,18-,19-,20-,21+,22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:6](=[N:25][C@@H:12]1[C@@H:16]([OH:35])[C@H:14]([OH:33])[C@@H:9]([CH2:5][OH:28])[O:40][C@@H:22]1[O:42][C@H:21]1[C@H:11]([NH2:24])[C@@H:15]([OH:34])[C@@H:13]([OH:32])[C@@H:8]([CH2:4][CH:7]([C@@H:19]2[C@@H:17]([OH:36])[C@@H:18]([OH:37])[C@H:20]([N:27]3[CH:3]=[CH:2][C:10]([OH:31])=[N:26][C:23]3=[O:38])[O:41]2)[OH:30])[O:39]1)[OH:29] |
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