input word = C00005628

Metabolite InformationStructural formula
Name Robinetin 7-glucoside
Formula C21H20O12
Mw 464.09547611
CAS RN
C_ID C00005628 ,
InChIKey MVLXYRLSDKXFKJ-LSLHBFMHNA-N
InChICode InChI=1S/C21H20O12/c22-6-13-16(27)17(28)19(30)21(33-13)31-8-1-2-9-12(5-8)32-20(18(29)14(9)25)7-3-10(23)15(26)11(24)4-7/h1-5,13,16-17,19,21-24,26-30H,6H2/t13-,16-,17+,19-,21-/m1/s1
SMILES O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)ccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAlternanthera sessilis Ref.
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