| Properties | Image |
|---|
| MNX_ID | MNXM1193108 |
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| reference | envipathM:...ce5e34be996d |
| formula | C14H19O13 |
| global charge | -1 |
| mol weight | 395.293 |
| InChIKey | BKXYKGFLFJLKRD-UHFFFAOYSA-M |
| InChI | InChI=1S/C14H20O13/c15-2-4(16)1-5-7(18)11(22)13(25)27-14(5)26-3-6(17)8(19)9(20)10(21)12(23)24/h2,4-7,10-11,13-14,16-18,21-22,25H,1,3H2,(H,23,24)/p-1 |
| SMILES | O=CC(O)CC1C(OCC(O)C(=O)C(=O)C(O)C(=O)[O-])OC(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C14H20O13/c15-2-4(16)1-5-7(18)11(22)13(25)27-14(5)26-3-6(17)8(19)9(20)10(21)12(23)24/h2,4-7,10-11,13-14,16-18,21-22,25H,1,3H2,(H,23,24)/t4?,5?,6?,7?,10?,11?,13?,14? |
 |
| SMILES (mnx) | [CH2:1]([CH:4]([CH:2]=[O:15])[OH:16])[CH:5]1[CH:7]([OH:18])[CH:11]([OH:22])[CH:13]([OH:25])[O:27][CH:14]1[O:26][CH2:3][CH:6]([C:8]([C:9]([CH:10]([C:12](=[O:23])[OH:24])[OH:21])=[O:20])=[O:19])[OH:17] |
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