Details of Eucalbanin B
| IUPAC | [(10R,11R,12S,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[(11R,12R,15R)-3,4,5,13,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl]oxy]-3,4,5-trihydroxybenzoate |
| Canonical Smiles | C1[C@@H]2[C@H]([C@H]([C@@H](C(O2)O)OC(=O)C3=CC(=C(C(=C3OC4=C(C(=C5C(=C4)C(=O)OC[C@@H]6C([C@H]([C@H](C(O6)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C95)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O |
| Inchi | XFWQENOIAWGGIS-KZZNQRMLSA-N |
| PubChem ID | 101629792 |
| Smiles | O=C(O[C@H]1C(O)O[C@@H]2COC(=O)c3cc(Oc4c(C(=O)O[C@@H]5C(O)O[C@@H]6COC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)O[C@H]6[C@H]5OC(=O)c5cc(O)c(O)c(O)c5)cc(O)c(O)c4O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DC%28O%5BC%40H%5D1C%28O%29O%5BC%40%40H%5D2COC%28%3DO%29c3cc%28Oc4c%28C%28%3DO%29O%5BC%40%40H%5D5C%28O%29O%5BC%40%40H%5D6COC%28%3DO%29c7cc%28O%29c%28O%29c%28O%29c7-c7c%28cc%28O%29c%28O%29c7O%29C%28%3DO%29O%5BC%40H%5D6%5BC%40H%5D5OC%28%3DO%29c5cc%28O%29c%28O%29c%28O%29c5%29cc%28O%29c%28O%29c4O%29c%28O%29c%28O%29c3-c3c%28cc%28O%29c%28O%29c3O%29C%28%3DO%29OC2%5BC%40H%5D1OC%28%3DO%29c1cc%28O%29c%28O%29c%28O%29c1%29c1cc%28O%29c%28O%29c%28O%29c1/file?format=sdf&get3d=True -- O%3DC%28O%5BC%40H%5D1C%28O%29O%5BC%40%40H%5D2COC%28%3DO%29c3cc%28Oc4c%28C%28%3DO%29O%5BC%40%40H%5D5C%28O%29O%5BC%40%40H%5D6COC%28%3DO%29c7cc%28O%29c%28O%29c%28O%29c7-c7c%28cc%28O%29c%28O%29c7O%29C%28%3DO%29O%5BC%40H%5D6%5BC%40H%5D5OC%28%3DO%29c5cc%28O%29c%28O%29c%28O%29c5%29cc%28O%29c%28O%29c4O%29c%28O%29c%28O%29c3-c3c%28cc%28O%29c%28O%29c3O%29C%28%3DO%29OC2%5BC%40H%5D1OC%28%3DO%29c1cc%28O%29c%28O%29c%28O%29c1%29c1cc%28O%29c%28O%29c%28O%29c1 could not be loaded.
| Class | Gallotannins |
| Super Class | Phenolic acids (C6-C1) |
| Pathways | Shikimates and Phenylpropanoids |