| Properties | Image |
|---|
| MNX_ID | MNXM1177813 |
 |
| reference | envipathM:...bc1ef69bab1a |
| formula | C14H21O13 |
| global charge | -1 |
| mol weight | 397.309 |
| InChIKey | BAEVFHMPRPUYAS-UHFFFAOYSA-M |
| InChI | InChI=1S/C14H22O13/c15-2-6(18)1-7(11(21)8(19)3-16)14(25)26-5-9(12(22)13(23)24)27-10(20)4-17/h2-4,6-12,14,18-22,25H,1,5H2,(H,23,24)/p-1 |
| SMILES | O=CC(O)CC(C(O)OCC(OC(O)C=O)C(O)C(=O)[O-])C(O)C(O)C=O |
MNX internals
| InChI (mnx) | InChI=1/C14H22O13/c15-2-6(18)1-7(11(21)8(19)3-16)14(25)26-5-9(12(22)13(23)24)27-10(20)4-17/h2-4,6-12,14,18-22,25H,1,5H2,(H,23,24)/t6?,7?,8?,9?,10?,11?,12?,14? |
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| SMILES (mnx) | [CH2:1]([CH:6]([CH:2]=[O:15])[OH:18])[CH:7]([CH:11]([CH:8]([CH:3]=[O:16])[OH:19])[OH:21])[CH:14]([OH:25])[O:26][CH2:5][CH:9]([CH:12]([C:13](=[O:23])[OH:24])[OH:22])[O:27][CH:10]([CH:4]=[O:17])[OH:20] |
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