Details of RUBROBRASSICIN
| IUPAC | (2S,3R,5S)-2-[(2S,5S)-4,5-dihydroxy-2-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxan-3-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)OC6C(C(C(C(O6)CO)O)O)O)O |
| Inchi | XPMFXZDODDEKIK-UOVHCIAHSA-O |
| PubChem ID | 44256631 |
| Smiles | OCC1OC(Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)cc23)C(O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/OCC1OC%28Oc2cc%28O%29cc3%5Bo%20%5Dc%28-c4ccc%28O%29cc4%29c%28OC4OC%28CO%29C%28O%29C%28O%29C4OC4OC%28CO%29C%28O%29C%28O%29C4O%29cc23%29C%28O%29C%28O%29C1O/file?format=sdf&get3d=True -- OCC1OC%28Oc2cc%28O%29cc3%5Bo%20%5Dc%28-c4ccc%28O%29cc4%29c%28OC4OC%28CO%29C%28O%29C%28O%29C4OC4OC%28CO%29C%28O%29C%28O%29C4O%29cc23%29C%28O%29C%28O%29C1O could not be loaded.
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