| Properties | Image |
|---|
| MNX_ID | MNXM1176386 |
 |
| reference | envipathM:...575adf58786e |
| formula | C14H20O13 |
| global charge | 0 |
| mol weight | 396.301 |
| InChIKey | LJHWFJSOQARISG-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H20O13/c15-1-4(17)8(20)7-11(23)12(24)13(25)27-14(7)26-3-6(19)10(22)9(21)5(18)2-16/h1-2,5-8,10-14,18-20,22-25H,3H2 |
| SMILES | O=CC(=O)C(O)C1C(OCC(O)C(O)C(=O)C(O)C=O)OC(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C14H20O13/c15-1-4(17)8(20)7-11(23)12(24)13(25)27-14(7)26-3-6(19)10(22)9(21)5(18)2-16/h1-2,5-8,10-14,18-20,22-25H,3H2/t5?,6?,7?,8?,10?,11?,12?,13?,14? |
 |
| SMILES (mnx) | [CH:1]([C:4]([CH:8]([CH:7]1[CH:11]([OH:23])[CH:12]([OH:24])[CH:13]([OH:25])[O:27][CH:14]1[O:26][CH2:3][CH:6]([CH:10]([C:9]([CH:5]([CH:2]=[O:16])[OH:18])=[O:21])[OH:22])[OH:19])[OH:20])=[O:17])=[O:15] |
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