Details of Gemin D
| IUPAC | [1-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2-hydroxy-3-oxopropyl] 3,4,5-trihydroxybenzoate |
| Canonical Smiles | C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C(C(C=O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O |
| Inchi | XKVYZLLWKHGKMT-UHFFFAOYSA-N |
| PubChem ID | 471119 |
| Smiles | O=C(OC(C(=O)CO)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O)c1cc(O)c(O)c(O)c1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DC%28OC%28C%28%3DO%29CO%29C1OC%28%3DO%29c2cc%28O%29c%28O%29c%28O%29c2-c2c%28cc%28O%29c%28O%29c2O%29C%28%3DO%29OCC1O%29c1cc%28O%29c%28O%29c%28O%29c1/file?format=sdf&get3d=True -- O%3DC%28OC%28C%28%3DO%29CO%29C1OC%28%3DO%29c2cc%28O%29c%28O%29c%28O%29c2-c2c%28cc%28O%29c%28O%29c2O%29C%28%3DO%29OCC1O%29c1cc%28O%29c%28O%29c%28O%29c1 could not be loaded.
| Class | Gallotannins, Flavan-3-ols |
| Super Class | Phenolic acids (C6-C1) |
| Pathways | Shikimates and Phenylpropanoids |
