input word = C00004473

Metabolite InformationStructural formula
Name Isoetin 5'-glucoside
Formula C21H20O12
Mw 464.09547611
CAS RN 118169-24-7
C_ID C00004473 ,
InChIKey CRQGZKQQBXIWSE-CFBYCNAUNA-N
InChICode InChI=1S/C21H20O12/c22-6-16-18(28)19(29)20(30)21(33-16)32-14-3-8(9(24)4-10(14)25)13-5-12(27)17-11(26)1-7(23)2-15(17)31-13/h1-5,16,18-26,28-30H,6H2/t16-,18-,19+,20-,21-/m1/s1
SMILES O=c1cc(-c2cc(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)c(O)cc2O)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia hispanica Ref.
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