Details of PETUNIDIN-3-RUTINOSIDE
| IUPAC | (2R,4S,5R)-2-[[(3S,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol |
| Canonical Smiles | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)OC)O)O)O)O)O)O)O)O)O)O |
| Inchi | IWTWNQZWPPSSQB-UADFERLPSA-O |
| PubChem ID | 44256957 |
| Smiles | COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc(O)c1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1cc%28-c2%5Bo%20%5Dc3cc%28O%29cc%28O%29c3cc2OC2OC%28COC3OC%28C%29C%28O%29C%28O%29C3O%29C%28O%29C%28O%29C2O%29cc%28O%29c1O/file?format=sdf&get3d=True -- COc1cc%28-c2%5Bo%20%5Dc3cc%28O%29cc%28O%29c3cc2OC2OC%28COC3OC%28C%29C%28O%29C%28O%29C3O%29C%28O%29C%28O%29C2O%29cc%28O%29c1O could not be loaded.
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