| Properties | Image |
|---|
| MNX_ID | MNXM1132700 |
 |
| reference | metacycM:CPD-24047 |
| formula | C22H38N2O15 |
| global charge | 0 |
| mol weight | 570.545 |
| InChIKey | FTGVNHMEJZCJPC-PWPCPYRWSA-N |
| InChI | InChI=1S/C22H38N2O15/c1-6-13(29)19(39-22-17(33)16(32)14(30)9(4-25)37-22)12(24-8(3)28)21(35-6)38-18-11(23-7(2)27)20(34)36-10(5-26)15(18)31/h6,9-22,25-26,29-34H,4-5H2,1-3H3,(H,23,27)(H,24,28)/t6-,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+,19-,20+,21-,22-/m0/s1 |
| SMILES | CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)O[C@@H](C)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H38N2O15/c1-6-13(29)19(39-22-17(33)16(32)14(30)9(4-25)37-22)12(24-8(3)28)21(35-6)38-18-11(23-7(2)27)20(34)36-10(5-26)15(18)31/h6,9-22,25-26,29-34H,4-5H2,1-3H3,(H,23,27)(H,24,28)/t6-,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+,19-,20+,21-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:6]1[C@@H:13]([OH:29])[C@@H:19]([O:39][C@H:22]2[C@H:17]([OH:33])[C@@H:16]([OH:32])[C@@H:14]([OH:30])[C@@H:9]([CH2:4][OH:25])[O:37]2)[C@H:12]([N:24]=[C:8]([CH3:3])[OH:28])[C@H:21]([O:38][C@@H:18]2[C@@H:11]([N:23]=[C:7]([CH3:2])[OH:27])[C@H:20]([OH:34])[O:36][C@H:10]([CH2:5][OH:26])[C@H:15]2[OH:31])[O:35]1 |
|