| SpectraBase Spectrum ID |
HSWFcFmFwQ8 |
| Name |
Gentisic acid 5-o-.beta.-glucoside, 6me derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.173332473 u |
| Formula |
C19H28O9 |
| InChI |
InChI=1S/C19H28O9/c1-21-10-14-15(23-3)16(24-4)17(25-5)19(28-14)27-11-7-8-13(22-2)12(9-11)18(20)26-6/h7-9,14-17,19H,10H2,1-6H3/t14-,15-,16+,17-,19-/m1/s1 |
| InChIKey |
TZFPATJUBPDRHB-OGJJZOIMSA-N |
| Molecular Weight |
400.424 g/mol |
| SMILES |
C(C1=C(C=CC(=C1)O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])OC)(=O)OC |
