Details of 5-desgalloylstachyurin
| IUPAC | (14R,15S,19S)-14-[(10R,11R)-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]-2,3,4,7,8,9,19-heptahydroxy-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(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)O |
| Inchi | CHBITXAMNKHJCR-VGYCLGPVSA-N |
| PubChem ID | 10417809 |
| Smiles | O=C1OCC(O)C(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC2C4O)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%29OC2C4O%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%29OC2C4O%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 |