input word = C00058026

Metabolite InformationStructural formula
Name beta-Sitosterol behenate
Formula C51H92O2
Mw 736.70973218
CAS RN 22554-56-9
C_ID C00058026
InChIKey KESLVCKDQOQELG-OBZANURPSA-N
InChICode InChI=1S/C51H92O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-49(52)53-44-35-37-50(6)43(39-44)31-32-45-47-34-33-46(51(47,7)38-36-48(45)50)41(5)29-30-42(9-2)40(3)4/h31,40-42,44-48H,8-30,32-39H2,1-7H3/t41-,42-,44+,45+,46-,47+,48+,50+,51-/m1/s1
SMILES CCCCCCCCCCCCCCCCCCCCCC(O[C@@H]1CC2=CC[C@]([C@@](CC[C@]3([H])[C@H](C)CC[C@@H](CC)C(C)C)([H])[C@]3(C)CC4)([H])[C@@]4([H])[C@@]2(C)CC1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus cerasoides Ref.
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