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 c1(ccc2c(c1)oc(c(c2=O)O)c1cc(c(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAlternanthera sessilis Ref.
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