Details of SECOLOGANATE
| IUPAC | (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid |
| Canonical Smiles | C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC=O |
| Inchi | PUEUIRDVQIKCCG-ZASXJUAOSA-N |
| PubChem ID | 439612 |
| Smiles | C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC=O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C%3DCC1C%28OC2OC%28CO%29C%28O%29C%28O%29C2O%29OC%3DC%28C%28%3DO%29O%29C1CC%3DO/file?format=sdf&get3d=True -- C%3DCC1C%28OC2OC%28CO%29C%28O%29C%28O%29C2O%29OC%3DC%28C%28%3DO%29O%29C1CC%3DO could not be loaded.
| Class | Secoiridoid monoterpenoids |
| Super Class | Monoterpenoids |
| Pathways | Terpenoids |
