Details of Theasinensin B
| IUPAC | [(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-2-[2,3,4-trihydroxy-6-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl]phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| Canonical Smiles | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O)O)O)O |
| Inchi | CTVAVEOYQKVFFY-DUSGSIEYSA-N |
| PubChem ID | 467315 |
| Smiles | COc1cc(O)c2cc(O)c(-c3cc(OC)c(O)c(OC)c3)[o+]c2c1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1cc%28O%29c2cc%28O%29c%28-c3cc%28OC%29c%28O%29c%28OC%29c3%29%5Bo%20%5Dc2c1/file?format=sdf&get3d=True -- COc1cc%28O%29c2cc%28O%29c%28-c3cc%28OC%29c%28O%29c%28OC%29c3%29%5Bo%20%5Dc2c1 could not be loaded.
| Class | Flavan-3-ols, Proanthocyanins |
| Super Class | Flavonoids |
| Pathways | Shikimates and Phenylpropanoids |