Details of Amaranthin betacyanin
| IUPAC | (2S)-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-6-hydroxy-2,3-dihydroindol-1-ium-2-carboxylate |
| Canonical Smiles | C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O |
| Inchi | ATSKDYKYMQVTGH-POBNKHOBSA-N |
| PubChem ID | 6325284 |
| Smiles | O=C(O)C1=NC(C(=O)O)CC(=CC=[N+]2c3cc(O)c(OC4OC(CO)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)cc3CC2C(=O)[O-])C1 |
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