input word = C00005704

Metabolite InformationStructural formula
Name Corniculatusin 3-galactoside
Formula C22H22O13
Mw 494.10604079
CAS RN 27560-04-9
C_ID C00005704 ,
InChIKey HBKIRGQPEXVXGB-JFMIESSJNA-N
InChICode InChI=1S/C22H22O13/c1-32-19-11(27)5-10(26)13-15(29)21(35-22-17(31)16(30)14(28)12(6-23)33-22)18(34-20(13)19)7-2-3-8(24)9(25)4-7/h2-5,12,14,16-17,22-28,30-31H,6H2,1H3/t12-,14+,16-,17-,22+/m1/s1
SMILES c1(cc(c2c(c1OC)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGeraea canescens Ref.
PlantaeEricaceaeErica cinerea Ref.
PlantaeFabaceaeLotus corniculatus Ref.
PlantaeRosaceaeDryas octopetala Ref.
zoom in