input word = C00005626

Metabolite InformationStructural formula
Name Lagotiside
Formula C23H24O12
Mw 492.12677623
CAS RN 123914-42-1
C_ID C00005626 ,
InChIKey YJVIBQPIETZRSU-UFROUNSFNA-N
InChICode InChI=1S/C23H24O12/c1-31-10-3-9(4-11(5-10)32-2)22-20(29)18(27)16-13(25)6-12(7-14(16)34-22)33-23-21(30)19(28)17(26)15(8-24)35-23/h3-7,15,17,19,21,23-26,28-30H,8H2,1-2H3/t15-,17-,19+,21-,23-/m1/s1
SMILES COc1cc(OC)cc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeLagotis brachystachya Ref.
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