input word = C00004471

Metabolite InformationStructural formula
Name Isoetin 7-glucoside
Formula C21H20O12
Mw 464.09547611
CAS RN 67776-47-0
C_ID C00004471 ,
InChIKey NVUHNNHRBAHSFM-OHPGNTIMNA-N
InChICode InChI=1S/C21H20O12/c22-6-16-18(28)19(29)20(30)21(33-16)31-7-1-12(26)17-13(27)5-14(32-15(17)2-7)8-3-10(24)11(25)4-9(8)23/h1-5,16,18-26,28-30H,6H2/t16-,18+,19-,20+,21+/m0/s1
SMILES O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHispidella hispanica Ref.
PlantaeAsteraceaeSonchus arvensis Ref.
zoom in