| Properties | Image |
|---|
| MNX_ID | MNXM1139176 |
 |
| reference | envipathM:...f2522dd8161f |
| formula | C14H20O13 |
| global charge | 0 |
| mol weight | 396.301 |
| InChIKey | QHEPWDJDBBJIRV-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H20O13/c15-1-3(16)6(17)5-8(19)10(21)13(24)27-14(5)25-2-4-7(18)9(20)11(22)12(23)26-4/h1,3-6,8-10,12-14,16-17,19-21,23-24H,2H2 |
| SMILES | O=CC(O)C(O)C1C(OCC2OC(O)C(=O)C(O)C2=O)OC(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C14H20O13/c15-1-3(16)6(17)5-8(19)10(21)13(24)27-14(5)25-2-4-7(18)9(20)11(22)12(23)26-4/h1,3-6,8-10,12-14,16-17,19-21,23-24H,2H2/t3?,4?,5?,6?,8?,9?,10?,12?,13?,14? |
 |
| SMILES (mnx) | [CH:1]([CH:3]([CH:6]([CH:5]1[CH:8]([OH:19])[CH:10]([OH:21])[CH:13]([OH:24])[O:27][CH:14]1[O:25][CH2:2][CH:4]1[C:7](=[O:18])[CH:9]([OH:20])[C:11](=[O:22])[CH:12]([OH:23])[O:26]1)[OH:17])[OH:16])=[O:15] |
|