Details of CELOSIANIN
| IUPAC | (2S)-1-[(2E)-2-[(2S)-6-carboxy-2-carboxylato-2,3-dihydro-1H-pyridin-1-ium-4-ylidene]ethylidene]-5-[(3R,4S,5S,6R)-3-[(3R,4S,5S,6S)-6-carboxylato-4,5-dihydroxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxido-2,3-dihydroindol-1-ium-2-carboxylate |
| Canonical Smiles | C1C([NH2+]C(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)[O-])OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)OC(=O)C=CC6=CC=C(C=C6)O)C(=O)[O-])C(=O)O)C(=O)[O-] |
| Inchi | VYAFZESLHLWKCS-AHJBFHQGSA-L |
| PubChem ID | 157010010 |
| Smiles | O=C(C=Cc1ccc(O)cc1)OC1C(OC2C(Oc3cc4c(cc3O)[N+](=CC=C3CC(C(=O)O)=NC(C(=O)O)C3)C(C(=O)O)C4)OC(CO)C(O)C2O)OC(C(=O)[O-])C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DC%28C%3DCc1ccc%28O%29cc1%29OC1C%28OC2C%28Oc3cc4c%28cc3O%29%5BN%20%5D%28%3DCC%3DC3CC%28C%28%3DO%29O%29%3DNC%28C%28%3DO%29O%29C3%29C%28C%28%3DO%29O%29C4%29OC%28CO%29C%28O%29C2O%29OC%28C%28%3DO%29%5BO-%5D%29C%28O%29C1O/file?format=sdf&get3d=True -- O%3DC%28C%3DCc1ccc%28O%29cc1%29OC1C%28OC2C%28Oc3cc4c%28cc3O%29%5BN%20%5D%28%3DCC%3DC3CC%28C%28%3DO%29O%29%3DNC%28C%28%3DO%29O%29C3%29C%28C%28%3DO%29O%29C4%29OC%28CO%29C%28O%29C2O%29OC%28C%28%3DO%29%5BO-%5D%29C%28O%29C1O could not be loaded.
| Class | |
| Super Class | |
| Pathways |