| SpectraBase Spectrum ID |
5nQFUdMuNkI |
| Name |
3-{2-[(beta-Glucopyranosyl)oxy]-4,5-(methylenedioxy)phenyl}propanoic Acid |
| Alternate Name(s) |
3-(6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzo[d][1,3]dioxol-5-yl)propanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20O10 |
| InChI |
InChI=1S/C16H20O10/c17-5-11-13(20)14(21)15(22)16(26-11)25-8-4-10-9(23-6-24-10)3-7(8)1-2-12(18)19/h3-4,11,13-17,20-22H,1-2,5-6H2,(H,18,19)/t11-,13-,14+,15-,16-/m1/s1 |
| InChIKey |
RZIGRNJMLVJHAQ-YMILTQATSA-N |
| Molecular Weight |
372.326 g/mol |
| SMILES |
O[C@]1([C@](Oc2c(CCC(=O)O)cc3c(c2)OCO3)(O[C@@]([C@]([C@@]1(O)[H])(O)[H])(CO)[H])[H])[H] |
| SPLASH |
splash10-0gvo-0900000000-2d23152b46a9ddbd8cc8 |
| Source of Spectrum |
CBD-3-1029-3 |
| Wiley ID |
1790331 |
![3-{2-[(beta-Glucopyranosyl)oxy]-4,5-(methylenedioxy)phenyl}propanoic Acid](/api/spectrum/5nQFUdMuNkI/structure.png?h=300&w=458 "3-{2-[(beta-Glucopyranosyl)oxy]-4,5-(methylenedioxy)phenyl}propanoic Acid")
