Details of Gomphrenin I
| IUPAC | (2S)-4-[(E)-2-[(2S)-2-carboxy-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid |
| Canonical Smiles | C1[C@H](N=C(C=C1/C=C/N2[C@@H](CC3=CC(=C(C=C32)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)O)C(=O)O)C(=O)O |
| Inchi | IKCBLEDGTPAJDE-FTNGGYTGSA-N |
| PubChem ID | 90658633 |
| Smiles | O=C(O)c1cc(C=CN2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3CC2C(=O)O)cc(C(O)O)n1 |
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| Class | Betalain alkaloids |
| Super Class | Tyrosine alkaloids |
| Pathways | Alkaloids |