Details of granatin A
| IUPAC | 6,7,8,11,12,13,25,26,30,30,31,37-dodecahydroxy-17,21,36,38,39-pentaoxaoctacyclo[18.16.1.12,19.127,31.04,9.010,15.023,28.029,34]nonatriaconta-4,6,8,10,12,14,23,25,27,33-decaene-3,16,22,32,35-pentone |
| Canonical Smiles | C1C2C3C(C(C(O2)C(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)OC(=O)C6=CC(=O)C7(C(C6C8=C(O7)C(=C(C=C8C(=O)O3)O)O)(O)O)O)O |
| Inchi | BEAQEKRAXFQCBO-UHFFFAOYSA-N |
| PubChem ID | 131752596 |
| Smiles | O=C1OC2C3OC(COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C3=O)C(OC(=O)c3cc(O)c(O)c4c3C3=C1CC(=O)C(O)(O4)C3(O)O)C2O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DC1OC2C3OC%28COC%28%3DO%29c4cc%28O%29c%28O%29c%28O%29c4-c4c%28cc%28O%29c%28O%29c4O%29C3%3DO%29C%28OC%28%3DO%29c3cc%28O%29c%28O%29c4c3C3%3DC1CC%28%3DO%29C%28O%29%28O4%29C3%28O%29O%29C2O/file?format=sdf&get3d=True -- O%3DC1OC2C3OC%28COC%28%3DO%29c4cc%28O%29c%28O%29c%28O%29c4-c4c%28cc%28O%29c%28O%29c4O%29C3%3DO%29C%28OC%28%3DO%29c3cc%28O%29c%28O%29c4c3C3%3DC1CC%28%3DO%29C%28O%29%28O4%29C3%28O%29O%29C2O could not be loaded.
| Class | Gallotannins |
| Super Class | Phenolic acids (C6-C1) |
| Pathways | Shikimates and Phenylpropanoids |