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 c1(cc(c2c(c1)oc(cc2=O)c1cc(c(cc1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia hispanica Ref.
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