| Properties | Image |
|---|
| MNX_ID | MNXM683062 |
 |
| reference | metacycM:CPD-19017 |
| formula | C16H28O12 |
| global charge | 0 |
| mol weight | 412.388 |
| InChIKey | XDCGLMGQYMZCGQ-JXBHDTGASA-N |
| InChI | InChI=1S/C16H28O12/c1-6(2)14(24)26-12-8(4-18)25-15(11(22)10(12)21)28-16(5-19)13(23)9(20)7(3-17)27-16/h6-13,15,17-23H,3-5H2,1-2H3/t7-,8-,9-,10-,11-,12-,13+,15-,16+/m1/s1 |
| SMILES | CC(C)C(=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/C16H28O12/c1-6(2)14(24)26-12-8(4-18)25-15(11(22)10(12)21)28-16(5-19)13(23)9(20)7(3-17)27-16/h6-13,15,17-23H,3-5H2,1-2H3/t7-,8-,9-,10-,11-,12-,13+,15-,16+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[C:14](=[O:24])[O:26][C@@H:12]1[C@@H:8]([CH2:4][OH:18])[O:25][C@H:15]([O:28][C@@:16]2([CH2:5][OH:19])[C@@H:13]([OH:23])[C@H:9]([OH:20])[C@@H:7]([CH2:3][OH:17])[O:27]2)[C@H:11]([OH:22])[C@H:10]1[OH:21] |
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