| Properties | Image |
|---|
| MNX_ID | MNXM1175853 |
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| reference | envipathM:...5ec46ca2d87c |
| formula | C14H19O13 |
| global charge | -1 |
| mol weight | 395.293 |
| InChIKey | DNNZSYPYROMCLK-UHFFFAOYSA-M |
| InChI | InChI=1S/C14H20O13/c15-2-6(17)8(18)4(1-5(16)12(22)23)13(24)26-3-7-9(19)10(20)11(21)14(25)27-7/h2,4-7,9,11,13-14,16-17,19,21,24-25H,1,3H2,(H,22,23)/p-1 |
| SMILES | O=CC(O)C(=O)C(CC(O)C(=O)[O-])C(O)OCC1OC(O)C(O)C(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C14H20O13/c15-2-6(17)8(18)4(1-5(16)12(22)23)13(24)26-3-7-9(19)10(20)11(21)14(25)27-7/h2,4-7,9,11,13-14,16-17,19,21,24-25H,1,3H2,(H,22,23)/t4?,5?,6?,7?,9?,11?,13?,14? |
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| SMILES (mnx) | [CH2:1]([CH:4]([C:8]([CH:6]([CH:2]=[O:15])[OH:17])=[O:18])[CH:13]([OH:24])[O:26][CH2:3][CH:7]1[CH:9]([OH:19])[C:10](=[O:20])[CH:11]([OH:21])[CH:14]([OH:25])[O:27]1)[CH:5]([C:12](=[O:22])[OH:23])[OH:16] |
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