Details of BETANINE
| IUPAC | (2S)-4-[(E)-2-[(2S)-2-carboxy-6-hydroxy-5-[(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 | C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O |
| Inchi | CTMLKIKAUFEMLE-FTNGGYTGSA-N |
| PubChem ID | 6540685 |
| Smiles | O=C(O)c1cc(C=CN2c3cc(O)c(OC4OC(CO)C(O)C(O)C4O)cc3CC2C(=O)O)cc(C(O)O)n1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DC%28O%29c1cc%28C%3DCN2c3cc%28O%29c%28OC4OC%28CO%29C%28O%29C%28O%29C4O%29cc3CC2C%28%3DO%29O%29cc%28C%28O%29O%29n1/file?format=sdf&get3d=True -- O%3DC%28O%29c1cc%28C%3DCN2c3cc%28O%29c%28OC4OC%28CO%29C%28O%29C%28O%29C4O%29cc3CC2C%28%3DO%29O%29cc%28C%28O%29O%29n1 could not be loaded.
| Class | |
| Super Class | |
| Pathways |