| Properties | Image |
|---|
| MNX_ID | MNXM113634 |
 |
| reference | chebi:66260 |
| formula | C20H28O9 |
| global charge | 0 |
| mol weight | 412.435 |
| InChIKey | LQLCHKHILFZNKF-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H28O9/c1-2-3-4-5-6-7-8-9-13-12-28-20(16(13)23)10-14(17(24)25)19(29-20,18(26)27)11-15(21)22/h12,14H,2-11H2,1H3,(H,21,22)(H,24,25)(H,26,27) |
| SMILES | CCCCCCCCCC1=COC2(CC(C(=O)O)C(CC(=O)O)(C(=O)O)O2)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C20H28O9/c1-2-3-4-5-6-7-8-9-13-12-28-20(16(13)23)10-14(17(24)25)19(29-20,18(26)27)11-15(21)22/h12,14H,2-11H2,1H3,(H,21,22)(H,24,25)(H,26,27)/t14?,19?,20? |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:13]1=[CH:12][O:28][C:20]2([CH2:10][CH:14]([C:17](=[O:24])[OH:25])[C:19]([CH2:11][C:15](=[O:21])[OH:22])([C:18](=[O:26])[OH:27])[O:29]2)[C:16]1=[O:23] |
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