| Properties | Image |
|---|
| MNX_ID | MNXM1187382 |
 |
| reference | envipathM:...16b7c3f99f01 |
| formula | C18H28O16 |
| global charge | 0 |
| mol weight | 500.406 |
| InChIKey | NCKNTZOFZGCSSE-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H28O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-7,9-15,17-22,24-28H,1-3H2 |
| SMILES | O=C1C(O)C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(=O)C(O)C3O)C(O)C2O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C18H28O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-7,9-15,17-22,24-28H,1-3H2/t4?,5?,6?,7?,9?,10?,11?,12?,13?,14?,15?,17?,18? |
 |
| SMILES (mnx) | [CH2:1]([CH:4]1[CH:7]([OH:22])[C:8](=[O:23])[CH:12]([OH:27])[CH:17]([O:34][CH:15]2[CH:6]([CH2:3][OH:21])[O:32][CH:18]([O:33][CH:14]3[CH:5]([CH2:2][OH:20])[O:30][C:16](=[O:29])[CH:11]([OH:26])[CH:9]3[OH:24])[CH:13]([OH:28])[CH:10]2[OH:25])[O:31]1)[OH:19] |
|