Details of Tremasperin
| IUPAC | [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-7-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxan-2-yl]methyl acetate |
| Canonical Smiles | CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)OC)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@H](O5)CO)O)O)O)O)O)O |
| Inchi | GPHUXNDOOHMAOE-LNVHJQEESA-N |
| PubChem ID | 102107503 |
| Smiles | COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)c([C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@@H](O)[C@H]4O)c3o2)cc1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1ccc%28-c2cc%28%3DO%29c3c%28O%29cc%28O%5BC%40%40H%5D4O%5BC%40H%5D%28CO%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40H%5D4O%29c%28%5BC%40%40H%5D4O%5BC%40H%5D%28COC%28C%29%3DO%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40H%5D4O%29c3o2%29cc1/file?format=sdf&get3d=True -- COc1ccc%28-c2cc%28%3DO%29c3c%28O%29cc%28O%5BC%40%40H%5D4O%5BC%40H%5D%28CO%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40H%5D4O%29c%28%5BC%40%40H%5D4O%5BC%40H%5D%28COC%28C%29%3DO%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40H%5D4O%29c3o2%29cc1 could not be loaded.
| Class | Flavones |
| Super Class | Flavonoids |
| Pathways | Shikimates and Phenylpropanoids |