Details of PELARGONIN
| IUPAC | (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical Smiles | C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
| Inchi | SLCKJKWFULXZBD-ZOTFFYTFSA-O |
| PubChem ID | 441772 |
| Smiles | OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/OCC1OC%28Oc2cc3c%28OC4OC%28CO%29C%28O%29C%28O%29C4O%29cc%28O%29cc3%5Bo%20%5Dc2-c2ccc%28O%29cc2%29C%28O%29C%28O%29C1O/file?format=sdf&get3d=True -- OCC1OC%28Oc2cc3c%28OC4OC%28CO%29C%28O%29C%28O%29C4O%29cc%28O%29cc3%5Bo%20%5Dc2-c2ccc%28O%29cc2%29C%28O%29C%28O%29C1O could not be loaded.
| Class | |
| Super Class | |
| Pathways |