Details of (1R)-deacetylipecoside
| IUPAC | methyl (2S,3R,4S)-4-[[(1R)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate |
| Canonical Smiles | COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)O)O)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| Inchi | MTAVTRZTGFLKSC-MDXCLUIBSA-O |
| PubChem ID | 25200454 |
| Smiles | C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@H]1NCCc2cc(O)c(O)cc21 |
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