Details of Woodfordin B
| IUPAC | [1-(3,4,5,11,16,17,18-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-12-yl)-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl] 3,4,5-trihydroxy-2-[[3,4,5,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(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]benzoate |
| Canonical Smiles | C1C(C(OC(=O)C2=C(C(=C(C(=C2)C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C(C(C=O)OC(=O)C4=CC(=C(C(=C4OC5=C(C(=C6C(=C5)C(=O)OCC7C(C(C(C(O7)OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C9)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)O |
| Inchi | PWJROHFKBLXARN-UHFFFAOYSA-N |
| PubChem ID | 16130309 |
| Smiles | O=CC(OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OC1C(COC2=O)OC(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(c(O)c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)OCC1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DCC%28OC%28%3DO%29c1cc%28O%29c%28O%29c%28O%29c1Oc1cc2c%28c%28O%29c1O%29-c1c%28cc%28O%29c%28O%29c1O%29C%28%3DO%29OC1C%28COC2%3DO%29OC%28OC%28%3DO%29c2cc%28O%29c%28O%29c%28O%29c2%29C%28OC%28%3DO%29c2cc%28O%29c%28O%29c%28O%29c2%29C1OC%28%3DO%29c1cc%28O%29c%28O%29c%28O%29c1%29C%28OC%28%3DO%29c1cc%28O%29c%28O%29c%28O%29c1%29C1OC%28%3DO%29c2cc%28c%28O%29c%28O%29c2O%29-c2c%28cc%28O%29c%28O%29c2O%29C%28%3DO%29OCC1O/file?format=sdf&get3d=True -- O%3DCC%28OC%28%3DO%29c1cc%28O%29c%28O%29c%28O%29c1Oc1cc2c%28c%28O%29c1O%29-c1c%28cc%28O%29c%28O%29c1O%29C%28%3DO%29OC1C%28COC2%3DO%29OC%28OC%28%3DO%29c2cc%28O%29c%28O%29c%28O%29c2%29C%28OC%28%3DO%29c2cc%28O%29c%28O%29c%28O%29c2%29C1OC%28%3DO%29c1cc%28O%29c%28O%29c%28O%29c1%29C%28OC%28%3DO%29c1cc%28O%29c%28O%29c%28O%29c1%29C1OC%28%3DO%29c2cc%28c%28O%29c%28O%29c2O%29-c2c%28cc%28O%29c%28O%29c2O%29C%28%3DO%29OCC1O could not be loaded.
| Class | Gallotannins |
| Super Class | Phenolic acids (C6-C1) |
| Pathways | Shikimates and Phenylpropanoids |