Details of Crocin
| IUPAC | bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate |
| Canonical Smiles | CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O |
| Inchi | SEBIKDIMAPSUBY-RTJKDTQDSA-N |
| PubChem ID | 5281233 |
| Smiles | CC(C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28C%3DCC%3DC%28C%29C%28%3DO%29OC1OC%28COC2OC%28CO%29C%28O%29C%28O%29C2O%29C%28O%29C%28O%29C1O%29%3DCC%3DCC%3DC%28C%29C%3DCC%3DC%28C%29C%28%3DO%29OC1OC%28COC2OC%28CO%29C%28O%29C%28O%29C2O%29C%28O%29C%28O%29C1O/file?format=sdf&get3d=True -- CC%28C%3DCC%3DC%28C%29C%28%3DO%29OC1OC%28COC2OC%28CO%29C%28O%29C%28O%29C2O%29C%28O%29C%28O%29C1O%29%3DCC%3DCC%3DC%28C%29C%3DCC%3DC%28C%29C%28%3DO%29OC1OC%28COC2OC%28CO%29C%28O%29C%28O%29C2O%29C%28O%29C%28O%29C1O could not be loaded.
| Class | Miscellaneous apocarotenoids |
| Super Class | Apocarotenoids |
| Pathways | Terpenoids |