| Properties | Image |
|---|
| MNX_ID | MNXM19537 |
 |
| reference | metacycM:CPD-13664 |
| formula | C22H40N3O15 |
| global charge | 1 |
| mol weight | 586.568 |
| InChIKey | DATDAAORWUFBHE-MFDLWANMSA-O |
| InChI | InChI=1S/C22H39N3O15/c1-6(29)24-12-17(34)19(9(4-27)36-20(12)35)39-21-11(23)15(32)18(10(5-28)38-21)40-22-13(25-7(2)30)16(33)14(31)8(3-26)37-22/h8-22,26-28,31-35H,3-5,23H2,1-2H3,(H,24,29)(H,25,30)/p+1/t8-,9-,10-,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]2[C@H](O)[C@@H]([NH3+])[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H39N3O15/c1-6(29)24-12-17(34)19(9(4-27)36-20(12)35)39-21-11(23)15(32)18(10(5-28)38-21)40-22-13(25-7(2)30)16(33)14(31)8(3-26)37-22/h8-22,26-28,31-35H,3-5,23H2,1-2H3,(H,24,29)(H,25,30)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20?,21+,22+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:6](=[N:24][C@@H:12]1[C@@H:17]([OH:34])[C@H:19]([O:39][C@H:21]2[C@H:11]([NH2:23])[C@@H:15]([OH:32])[C@H:18]([O:40][C@H:22]3[C@H:13]([N:25]=[C:7]([CH3:2])[OH:30])[C@@H:16]([OH:33])[C@H:14]([OH:31])[C@@H:8]([CH2:3][OH:26])[O:37]3)[C@@H:10]([CH2:5][OH:28])[O:38]2)[C@@H:9]([CH2:4][OH:27])[O:36][CH:20]1[OH:35])[OH:29] |
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