Details of Neoipecoside
| IUPAC | methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-7,8-dihydroxy-3,4-dihydro-1H-isoquinolin-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 | CC(=O)N1CCC2=C([C@H]1C[C@H]3[C@H]([C@@H](OC=C3C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C)C(=C(C=C2)O)O |
| Inchi | XNYSLIQSJYSIDP-BCAAKZKISA-N |
| PubChem ID | 21629955 |
| 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]1c2c(ccc(O)c2O)CCN1C(C)=O |
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| Class | Terpenoid tetrahydroisoquinoline alkaloids, Terpenoid tetrahydroisoquinoline alkaloids |
| Super Class | Tyrosine alkaloids |
| Pathways | Alkaloids |