input word = C00005344

Metabolite InformationStructural formula
Name Herbacetin 4'-glucoside
Formula C21H20O12
Mw 464.09547611
CAS RN 74355-98-9
C_ID C00005344 ,
InChIKey MPBYBTFFRCDJQT-MKZISFKNNA-N
InChICode InChI=1S/C21H20O12/c22-6-11-14(26)16(28)18(30)21(32-11)31-8-3-1-7(2-4-8)19-17(29)15(27)12-9(23)5-10(24)13(25)20(12)33-19/h1-5,11,14,16,18,21-26,28-30H,6H2/t11-,14-,16+,18-,21-/m1/s1
SMILES O=c1c(O)c(-c2ccc(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)cc2)oc2c(O)c(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeRhodiola algida Ref.
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