| Properties | Image |
|---|
| MNX_ID | MNXM683063 |
 |
| reference | metacycM:CPD-19018 |
| formula | C17H30O12 |
| global charge | 0 |
| mol weight | 426.415 |
| InChIKey | XUZMIKFKZAUSGG-IVHWZWKWSA-N |
| InChI | InChI=1S/C17H30O12/c1-7(2)3-10(21)27-14-9(5-19)26-16(13(24)12(14)23)29-17(6-20)15(25)11(22)8(4-18)28-17/h7-9,11-16,18-20,22-25H,3-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+,16-,17+/m1/s1 |
| SMILES | CC(C)CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C17H30O12/c1-7(2)3-10(21)27-14-9(5-19)26-16(13(24)12(14)23)29-17(6-20)15(25)11(22)8(4-18)28-17/h7-9,11-16,18-20,22-25H,3-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+,16-,17+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[CH2:3][C:10](=[O:21])[O:27][C@@H:14]1[C@@H:9]([CH2:5][OH:19])[O:26][C@H:16]([O:29][C@@:17]2([CH2:6][OH:20])[C@@H:15]([OH:25])[C@H:11]([OH:22])[C@@H:8]([CH2:4][OH:18])[O:28]2)[C@H:13]([OH:24])[C@H:12]1[OH:23] |
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