| Properties | Image |
|---|
| MNX_ID | MNXM1182705 |
 |
| reference | envipathM:...db6d6ccb1a9d |
| formula | C14H18O12 |
| global charge | 0 |
| mol weight | 378.286 |
| InChIKey | JQQBSWRJMQWRSB-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H18O12/c15-2-4(16)1-5-7(17)10(20)13(23)26-14(5)24-3-6-8(18)9(19)11(21)12(22)25-6/h2,4-7,10,12-14,16-17,20,22-23H,1,3H2 |
| SMILES | O=CC(O)CC1C(OCC2OC(O)C(=O)C(=O)C2=O)OC(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C14H18O12/c15-2-4(16)1-5-7(17)10(20)13(23)26-14(5)24-3-6-8(18)9(19)11(21)12(22)25-6/h2,4-7,10,12-14,16-17,20,22-23H,1,3H2/t4?,5?,6?,7?,10?,12?,13?,14? |
 |
| SMILES (mnx) | [CH2:1]([CH:4]([CH:2]=[O:15])[OH:16])[CH:5]1[CH:7]([OH:17])[CH:10]([OH:20])[CH:13]([OH:23])[O:26][CH:14]1[O:24][CH2:3][CH:6]1[C:8](=[O:18])[C:9](=[O:19])[C:11](=[O:21])[CH:12]([OH:22])[O:25]1 |
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