| Properties | Image |
|---|
| MNX_ID | MNXM1197218 |
 |
| reference | envipathM:...111596fd0931 |
| formula | C14H18O12 |
| global charge | 0 |
| mol weight | 378.286 |
| InChIKey | RUEGAWPUVFDXKC-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H18O12/c15-2-5(17)1-6-9(20)12(23)13(24)26-14(6)25-4-8(19)11(22)10(21)7(18)3-16/h2-3,5-7,10-11,13-14,17-18,21-22,24H,1,4H2 |
| SMILES | O=CC(O)CC1C(=O)C(=O)C(O)OC1OCC(=O)C(O)C(O)C(O)C=O |
MNX internals
| InChI (mnx) | InChI=1/C14H18O12/c15-2-5(17)1-6-9(20)12(23)13(24)26-14(6)25-4-8(19)11(22)10(21)7(18)3-16/h2-3,5-7,10-11,13-14,17-18,21-22,24H,1,4H2/t5?,6?,7?,10?,11?,13?,14? |
 |
| SMILES (mnx) | [CH2:1]([CH:5]([CH:2]=[O:15])[OH:17])[CH:6]1[C:9](=[O:20])[C:12](=[O:23])[CH:13]([OH:24])[O:26][CH:14]1[O:25][CH2:4][C:8]([CH:11]([CH:10]([CH:7]([CH:3]=[O:16])[OH:18])[OH:21])[OH:22])=[O:19] |
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