input word = C00004474

Metabolite InformationStructural formula
Name Isoetin 7-glucoside-2'-xyloside
Formula C26H28O16
Mw 596.13773485
CAS RN 134981-97-8
C_ID C00004474 ,
InChIKey AANLEWIAEUDQBM-KPOVHQSHNA-N
InChICode InChI=1S/C26H28O16/c27-6-18-21(34)22(35)24(37)26(42-18)39-8-1-12(30)19-13(31)5-15(40-17(19)2-8)9-3-10(28)11(29)4-16(9)41-25-23(36)20(33)14(32)7-38-25/h1-5,14,18,20-30,32-37H,6-7H2/t14-,18+,20+,21+,22-,23+,24+,25+,26+/m0/s1
SMILES O=c1cc(-c2cc(O)c(O)cc2O[C@@H]2OC[C@@H](O)[C@H](O)C2O)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
PlantaeAsteraceaeHypochoeris laevigata Ref.
PlantaeAsteraceaeHypochoeris maculata Ref.
zoom in