input word = C00010121

Metabolite InformationStructural formula
Name Irilone 4'-O-glucoside
Formula C22H20O11
Mw 460.10056148
CAS RN 50868-47-8
C_ID C00010121 ,
InChIKey SWSLNGRJTHYWLO-KNMIGYEFNA-N
InChICode InChI=1S/C22H20O11/c23-6-14-17(25)19(27)20(28)22(33-14)32-10-3-1-9(2-4-10)11-7-29-12-5-13-21(31-8-30-13)18(26)15(12)16(11)24/h1-5,7,14,17,19-20,22-23,25-28H,6,8H2/t14-,17-,19+,20-,22-/m0/s1
SMILES O=c1c(-c2ccc(O[C@H]3OC(CO)[C@H](O)C(O)C3O)cc2)coc2cc3c(c(O)c12)OCO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrifolium pratense Ref.
PlantaeIridaceaeIris germanica Ref.
zoom in



OrganismTrifolium pratense
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 517,Isoflavonoids and neoflavonoids

Tsukida,Phytochem.,12,(1973),2318