Details of CAMELLIATANNIN-A
| IUPAC | 19-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-14-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2,3,4,7,8,9-hexahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione |
| Canonical Smiles | C1C(C(OC2=C1C(=CC(=C2C3C4C(OC(=O)C5=CC(=C(C(=C5C6=C(C3=C(C(=C6O)O)O)C(=O)O4)O)O)O)C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
| Inchi | VFRPPNXPLILJQH-UHFFFAOYSA-N |
| PubChem ID | 16129875 |
| Smiles | O=C1OCC(O)C(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC2C4c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DC1OCC%28O%29C%28C2OC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3-c3c%28O%29c%28O%29c%28O%29c4c3C%28%3DO%29OC2C4c2c%28O%29cc%28O%29c3c2OC%28c2ccc%28O%29c%28O%29c2%29C%28O%29C3%29OC%28%3DO%29c2cc%28O%29c%28O%29c%28O%29c2-c2c1cc%28O%29c%28O%29c2O/file?format=sdf&get3d=True -- O%3DC1OCC%28O%29C%28C2OC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3-c3c%28O%29c%28O%29c%28O%29c4c3C%28%3DO%29OC2C4c2c%28O%29cc%28O%29c3c2OC%28c2ccc%28O%29c%28O%29c2%29C%28O%29C3%29OC%28%3DO%29c2cc%28O%29c%28O%29c%28O%29c2-c2c1cc%28O%29c%28O%29c2O could not be loaded.
| Class | Gallotannins |
| Super Class | Phenolic acids (C6-C1) |
| Pathways | Shikimates and Phenylpropanoids |