Details of Iridoids
| IUPAC | methyl (1S,4aS,7R,7aS)-4'-(hydroxymethyl)-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate |
| Canonical Smiles | COC(=O)C1=COC(C2C1C=CC23C=C(C(=O)O3)CO)OC4C(C(C(C(O4)CO)O)O)O |
| Inchi | XFIOZCMKPNZOII-RJMCEWFISA-N |
| PubChem ID | 453214 |
| Smiles | COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC21C=C(CO)C(=O)O1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC%28%3DO%29C1%3DCOC%28OC2OC%28CO%29C%28O%29C%28O%29C2O%29C2C1C%3DCC21C%3DC%28CO%29C%28%3DO%29O1/file?format=sdf&get3d=True -- COC%28%3DO%29C1%3DCOC%28OC2OC%28CO%29C%28O%29C%28O%29C2O%29C2C1C%3DCC21C%3DC%28CO%29C%28%3DO%29O1 could not be loaded.
| Class | Iridoids monoterpenoids |
| Super Class | Monoterpenoids |
| Pathways | Terpenoids |
