input word = C00005330

Metabolite InformationStructural formula
Name Betuletol 3-glucoside
Formula C23H24O12
Mw 492.12677623
CAS RN 144599-04-2
C_ID C00005330 ,
InChIKey BNHYQVLYKVAVLP-VZKRNIDMNA-N
InChICode InChI=1S/C23H24O12/c1-31-10-5-3-9(4-6-10)20-22(35-23-19(30)18(29)15(26)13(8-24)34-23)17(28)14-12(33-20)7-11(25)21(32-2)16(14)27/h3-7,13,15,18-19,23-27,29-30H,8H2,1-2H3/t13-,15-,18+,19-,23+/m1/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)OC)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArnica montana Ref.
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