| Properties | Image |
|---|
| MNX_ID | MNXM1178494 |
 |
| reference | envipathM:...46f6d3c35cce |
| formula | C14H20O13 |
| global charge | 0 |
| mol weight | 396.301 |
| InChIKey | BUQNDTHMBJGDSE-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H20O13/c15-1-4(17)8(19)7(9(20)5(18)2-16)13(24)26-3-6-10(21)11(22)12(23)14(25)27-6/h1-2,4-12,17-23H,3H2 |
| SMILES | O=CC(O)C(O)C(C(=O)OCC1OC(=O)C(O)C(O)C1O)C(O)C(O)C=O |
MNX internals
| InChI (mnx) | InChI=1/C14H20O13/c15-1-4(17)8(19)7(9(20)5(18)2-16)13(24)26-3-6-10(21)11(22)12(23)14(25)27-6/h1-2,4-12,17-23H,3H2/t4?,5?,6?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH:1]([CH:4]([CH:8]([CH:7]([CH:9]([CH:5]([CH:2]=[O:16])[OH:18])[OH:20])[C:13](=[O:24])[O:26][CH2:3][CH:6]1[CH:10]([OH:21])[CH:11]([OH:22])[CH:12]([OH:23])[C:14](=[O:25])[O:27]1)[OH:19])[OH:17])=[O:15] |
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