Details of Isoaffinetin
| IUPAC | 5,7-dihydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Canonical Smiles | C1=C(C=C(C(=C1O)O)O)C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O |
| Inchi | YVQAFWXBYGHQPW-BPIQGPLOSA-N |
| PubChem ID | 44258239 |
| Smiles | O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c12 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3Dc1cc%28-c2cc%28O%29c%28O%29c%28O%29c2%29oc2cc%28O%29c%28%5BC%40%40H%5D3OC%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29C3O%29c%28O%29c12/file?format=sdf&get3d=True -- O%3Dc1cc%28-c2cc%28O%29c%28O%29c%28O%29c2%29oc2cc%28O%29c%28%5BC%40%40H%5D3OC%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29C3O%29c%28O%29c12 could not be loaded.
| Class | Flavones |
| Super Class | Flavonoids |
| Pathways | Shikimates and Phenylpropanoids |