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