| Properties | Image |
|---|
| MNX_ID | MNXM1171141 |
 |
| reference | envipathM:...aecd753a596d |
| formula | C14H21O14 |
| global charge | -1 |
| mol weight | 413.308 |
| InChIKey | KWXQDZDVWPBJBG-UHFFFAOYSA-M |
| InChI | InChI=1S/C14H22O14/c15-2-4(16)1-5(10(20)21)14(28-13(25)11(22)23)26-3-6-7(17)8(18)9(19)12(24)27-6/h2,5-9,11-14,17-19,22-25H,1,3H2,(H,20,21)/p-1 |
| SMILES | O=CC(=O)CC(C(=O)[O-])C(OCC1OC(O)C(O)C(O)C1O)OC(O)C(O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H22O14/c15-2-4(16)1-5(10(20)21)14(28-13(25)11(22)23)26-3-6-7(17)8(18)9(19)12(24)27-6/h2,5-9,11-14,17-19,22-25H,1,3H2,(H,20,21)/t5?,6?,7?,8?,9?,12?,13?,14? |
 |
| SMILES (mnx) | [CH2:1]([C:4]([CH:2]=[O:15])=[O:16])[CH:5]([C:10](=[O:20])[OH:21])[CH:14]([O:26][CH2:3][CH:6]1[CH:7]([OH:17])[CH:8]([OH:18])[CH:9]([OH:19])[CH:12]([OH:24])[O:27]1)[O:28][CH:13]([CH:11]([OH:22])[OH:23])[OH:25] |
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