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 |
Class | Flavan-3-ols, Proanthocyanins |
Super Class | Flavonoids |
Pathways | Shikimates and Phenylpropanoids |