| Properties | Image |
|---|
| MNX_ID | MNXM683042 |
 |
| reference | metacycM:CPD-19120 |
| formula | C22H38O13 |
| global charge | 0 |
| mol weight | 510.533 |
| InChIKey | PXAITRVCWWHJEA-VRYDHRQHSA-N |
| InChI | InChI=1S/C22H38O13/c1-10(2)5-14(26)32-18-13(8-24)31-21(19(17(18)29)33-15(27)6-11(3)4)35-22(9-25)20(30)16(28)12(7-23)34-22/h10-13,16-21,23-25,28-30H,5-9H2,1-4H3/t12-,13-,16-,17+,18-,19-,20+,21-,22+/m1/s1 |
| SMILES | CC(C)CC(=O)O[C@H]1[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](OC(=O)CC(C)C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H38O13/c1-10(2)5-14(26)32-18-13(8-24)31-21(19(17(18)29)33-15(27)6-11(3)4)35-22(9-25)20(30)16(28)12(7-23)34-22/h10-13,16-21,23-25,28-30H,5-9H2,1-4H3/t12-,13-,16-,17+,18-,19-,20+,21-,22+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:5][C:14](=[O:26])[O:32][C@@H:18]1[C@@H:13]([CH2:8][OH:24])[O:31][C@H:21]([O:35][C@@:22]2([CH2:9][OH:25])[C@@H:20]([OH:30])[C@H:16]([OH:28])[C@@H:12]([CH2:7][OH:23])[O:34]2)[C@H:19]([O:33][C:15]([CH2:6][CH:11]([CH3:3])[CH3:4])=[O:27])[C@H:17]1[OH:29] |
|