input word = C00005331

Metabolite InformationStructural formula
Name Betuletol 7-glucoside
Formula C23H24O12
Mw 492.12677623
CAS RN 158080-75-2
C_ID C00005331 ,
InChIKey ITLNPAAIMHWILA-MOKZYHLTNA-N
InChICode InChI=1S/C23H24O12/c1-31-10-5-3-9(4-6-10)21-19(29)16(26)14-11(33-21)7-12(22(32-2)17(14)27)34-23-20(30)18(28)15(25)13(8-24)35-23/h3-7,13,15,18,20,23-25,27-30H,8H2,1-2H3/t13-,15-,18+,20+,23-/m1/s1
SMILES COc1ccc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(OC)c(O)c3c(=O)c2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeLantana camara var. aculeata Ref.
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