Details of PUNICALIN
| IUPAC | 3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone |
| Canonical Smiles | C1C2C(C(C(C(O2)O)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C5C6=C4C(=O)OC7=C(C(=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C67)C(=O)O5)O)O)O)O)O)O)O |
| Inchi | IQHIEHIKNWLKFB-UHFFFAOYSA-N |
| PubChem ID | 5388496 |
| Smiles | O=C1OC2C(COC(O)c3cc(O)c(O)c(O)c3-c3c(=O)c(=O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c65)-c3c1cc(O)c(O)c3O)OC(O)C(O)C2O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DC1OC2C%28COC%28O%29c3cc%28O%29c%28O%29c%28O%29c3-c3c%28%3DO%29c%28%3DO%29c4oc%28%3DO%29c5c%28c%28O%29c%28O%29c6oc%28%3DO%29c3c4c65%29-c3c1cc%28O%29c%28O%29c3O%29OC%28O%29C%28O%29C2O/file?format=sdf&get3d=True -- O%3DC1OC2C%28COC%28O%29c3cc%28O%29c%28O%29c%28O%29c3-c3c%28%3DO%29c%28%3DO%29c4oc%28%3DO%29c5c%28c%28O%29c%28O%29c6oc%28%3DO%29c3c4c65%29-c3c1cc%28O%29c%28O%29c3O%29OC%28O%29C%28O%29C2O could not be loaded.
| Class | Gallotannins |
| Super Class | Phenolic acids (C6-C1) |
| Pathways | Shikimates and Phenylpropanoids |