input word = C00005289

Metabolite InformationStructural formula
Name Kaempferide 3-glucuronide
Formula C22H20O12
Mw 476.09547611
CAS RN 71926-08-4
C_ID C00005289 ,
InChIKey FGOHVEYPHSAVIG-GAOPBNHONA-N
InChICode InChI=1S/C22H20O12/c1-31-10-4-2-8(3-5-10)18-19(14(25)13-11(24)6-9(23)7-12(13)32-18)33-22-17(28)15(26)16(27)20(34-22)21(29)30/h2-7,15-17,20,22-24,26-28H,1H3,(H,29,30)/t15-,16-,17+,20-,22+/m0/s1
SMILES COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)C(O)C2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCleome viscosa Ref.
zoom in