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.
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