input word = C00013604

Metabolite InformationStructural formula
Name 5,7,2'-Trihydroxy 7-glucoside
Formula C21H20O10
Mw 432.10564686
CAS RN
C_ID C00013604 ,
InChIKey LNUNSWVNHKOUNQ-OHPGNTIMNA-N
InChICode InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-9-5-12(24)17-13(25)7-14(30-15(17)6-9)10-3-1-2-4-11(10)23/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1c(cccc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria ramosissima Ref.
zoom in