Details of Oenothein B
| IUPAC | [4,5,6,12,20,21,22,25,26,30,31,32,38,46,47,48,51,52-octadecahydroxy-9,17,35,43,55,61-hexaoxo-64-(3,4,5-trihydroxybenzoyl)oxy-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.514,27.111,15.03,8.018,23.029,34.040,57.044,49.050,54.024,60]tetrahexaconta-1(52),3,5,7,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-58-yl] 3,4,5-trihydroxybenzoate |
| Canonical Smiles | C1C2C3C(C(C(O2)O)OC(=O)C4=CC(=C(C(=C4OC5=C(C(=C6C(=C5)C(=O)OCC7C(C(C(C(O7)O)OC(=O)C8=CC(=C(C(=C8OC9=C(C(=C(C(=C9)C(=O)O3)C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C16)O)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O |
| Inchi | YSLFLCIPPPJEHH-UHFFFAOYSA-N |
| PubChem ID | 16129800 |
| Smiles | O=C(OC1C2OC(=O)c3cc(O)c(O)c(O)c3Oc3cc4c(c(O)c3O)-c3c(cc(O)c(O)c3O)C(=O)OCC3OC(O)C(OC(=O)c5cc(O)c(O)c(O)c5Oc5cc6c(c(O)c5O)-c5c(cc(O)c(O)c5O)C(=O)OC1C(COC6=O)OC2O)C(OC(=O)c1cc(O)c(O)c(O)c1)C3OC4=O)c1cc(O)c(O)c(O)c1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DC%28OC1C2OC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3Oc3cc4c%28c%28O%29c3O%29-c3c%28cc%28O%29c%28O%29c3O%29C%28%3DO%29OCC3OC%28O%29C%28OC%28%3DO%29c5cc%28O%29c%28O%29c%28O%29c5Oc5cc6c%28c%28O%29c5O%29-c5c%28cc%28O%29c%28O%29c5O%29C%28%3DO%29OC1C%28COC6%3DO%29OC2O%29C%28OC%28%3DO%29c1cc%28O%29c%28O%29c%28O%29c1%29C3OC4%3DO%29c1cc%28O%29c%28O%29c%28O%29c1/file?format=sdf&get3d=True -- O%3DC%28OC1C2OC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3Oc3cc4c%28c%28O%29c3O%29-c3c%28cc%28O%29c%28O%29c3O%29C%28%3DO%29OCC3OC%28O%29C%28OC%28%3DO%29c5cc%28O%29c%28O%29c%28O%29c5Oc5cc6c%28c%28O%29c5O%29-c5c%28cc%28O%29c%28O%29c5O%29C%28%3DO%29OC1C%28COC6%3DO%29OC2O%29C%28OC%28%3DO%29c1cc%28O%29c%28O%29c%28O%29c1%29C3OC4%3DO%29c1cc%28O%29c%28O%29c%28O%29c1 could not be loaded.
| Class | Gallotannins |
| Super Class | Phenolic acids (C6-C1) |
| Pathways | Shikimates and Phenylpropanoids |