input word = C00054696

Metabolite InformationStructural formula
Name 2,6-Digalloylglucose
Formula C20H20O14
Mw 484.08530535
CAS RN 94356-20-4
C_ID C00054696
InChIKey NKUMECHNWXWONJ-LTCOOKNTSA-N
InChICode InChI=1S/C20H20O14/c21-5-14(34-20(32)8-3-11(24)16(28)12(25)4-8)18(30)17(29)13(26)6-33-19(31)7-1-9(22)15(27)10(23)2-7/h1-5,13-14,17-18,22-30H,6H2/t13-,14+,17-,18-/m1/s1
SMILES O=C[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum sp. Ref.
zoom in



OrganismRheum sp.
ReferenceKashiwada, Y. et al., Chem. Pharm. Bull., 1984, 32, 3461 (struct, pmr, cmr)