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 COc1c(O)cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@H](O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGeraea canescens Ref.
PlantaeEricaceaeErica cinerea Ref.
PlantaeFabaceaeLotus corniculatus Ref.
PlantaeRosaceaeDryas octopetala Ref.
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