| Properties | Image |
|---|
| MNX_ID | MNXM1197674 |
 |
| reference | envipathM:...9cb82d34a78c |
| formula | C14H21O13 |
| global charge | -1 |
| mol weight | 397.309 |
| InChIKey | GVJKJUQWGVZWTA-UHFFFAOYSA-M |
| InChI | InChI=1S/C14H22O13/c15-2-5(17)1-6(9(20)12(23)13(24)25)14(26)27-4-8(19)11(22)10(21)7(18)3-16/h2-3,5-7,9-12,14,17-18,20-23,26H,1,4H2,(H,24,25)/p-1 |
| SMILES | O=CC(O)CC(C(O)OCC(=O)C(O)C(O)C(O)C=O)C(O)C(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C14H22O13/c15-2-5(17)1-6(9(20)12(23)13(24)25)14(26)27-4-8(19)11(22)10(21)7(18)3-16/h2-3,5-7,9-12,14,17-18,20-23,26H,1,4H2,(H,24,25)/t5?,6?,7?,9?,10?,11?,12?,14? |
 |
| SMILES (mnx) | [CH2:1]([CH:5]([CH:2]=[O:15])[OH:17])[CH:6]([CH:9]([CH:12]([C:13](=[O:24])[OH:25])[OH:23])[OH:20])[CH:14]([OH:26])[O:27][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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