| Properties | Image |
|---|
| MNX_ID | MNXM1183802 |
 |
| reference | envipathM:...e5419915657f |
| formula | C14H20O13 |
| global charge | 0 |
| mol weight | 396.301 |
| InChIKey | ZCSCEDPDVWXEJL-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H20O13/c15-2-5(17)1-7(26-12(22)6(18)3-16)13(23)25-4-8-9(19)10(20)11(21)14(24)27-8/h2-3,5,7-11,13-14,17,19-21,23-24H,1,4H2 |
| SMILES | O=CC(=O)C(=O)OC(CC(O)C=O)C(O)OCC1OC(O)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C14H20O13/c15-2-5(17)1-7(26-12(22)6(18)3-16)13(23)25-4-8-9(19)10(20)11(21)14(24)27-8/h2-3,5,7-11,13-14,17,19-21,23-24H,1,4H2/t5?,7?,8?,9?,10?,11?,13?,14? |
 |
| SMILES (mnx) | [CH2:1]([CH:5]([CH:2]=[O:15])[OH:17])[CH:7]([CH:13]([OH:23])[O:25][CH2:4][CH:8]1[CH:9]([OH:19])[CH:10]([OH:20])[CH:11]([OH:21])[CH:14]([OH:24])[O:27]1)[O:26][C:12]([C:6]([CH:3]=[O:16])=[O:18])=[O:22] |
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