| Properties | Image |
|---|
| MNX_ID | MNXM1187598 |
 |
| reference | envipathM:...c90ecf9b9b8b |
| formula | C14H19O13 |
| global charge | -1 |
| mol weight | 395.293 |
| InChIKey | QPNZDFVFVUAYPR-UHFFFAOYSA-M |
| InChI | InChI=1S/C14H20O13/c15-2-5(17)1-6(12(22)23)14(27-8(18)3-16)25-4-7-9(19)10(20)11(21)13(24)26-7/h2-3,6-11,13-14,18-21,24H,1,4H2,(H,22,23)/p-1 |
| SMILES | O=CC(=O)CC(C(=O)[O-])C(OCC1OC(O)C(O)C(O)C1O)OC(O)C=O |
MNX internals
| InChI (mnx) | InChI=1/C14H20O13/c15-2-5(17)1-6(12(22)23)14(27-8(18)3-16)25-4-7-9(19)10(20)11(21)13(24)26-7/h2-3,6-11,13-14,18-21,24H,1,4H2,(H,22,23)/t6?,7?,8?,9?,10?,11?,13?,14? |
 |
| SMILES (mnx) | [CH2:1]([C:5]([CH:2]=[O:15])=[O:17])[CH:6]([C:12](=[O:22])[OH:23])[CH:14]([O:25][CH2:4][CH:7]1[CH:9]([OH:19])[CH:10]([OH:20])[CH:11]([OH:21])[CH:13]([OH:24])[O:26]1)[O:27][CH:8]([CH:3]=[O:16])[OH:18] |
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