Details of Malvidin 3,5-diglucoside
| IUPAC | (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride |
| Canonical Smiles | COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O.[Cl-] |
| Inchi | RHKJIVJBQJXLBY-FTIBDFQESA-N |
| PubChem ID | 5319251 |
| Smiles | COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1cc%28-c2%5Bo%20%5Dc3cc%28O%29cc%28O%5BC%40%40H%5D4O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D4O%29c3cc2O%5BC%40%40H%5D2O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D2O%29cc%28OC%29c1O/file?format=sdf&get3d=True -- COc1cc%28-c2%5Bo%20%5Dc3cc%28O%29cc%28O%5BC%40%40H%5D4O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D4O%29c3cc2O%5BC%40%40H%5D2O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D2O%29cc%28OC%29c1O could not be loaded.
| Class | |
| Super Class | |
| Pathways |
