input word = C00053077

Metabolite InformationStructural formula
Name beta-Sitosterol, laurate
Formula C41H72O2
Mw 596.55323154
CAS RN 41005-65-6
C_ID C00053077
InChIKey ZKAAVBQKARRBFN-CIKJAVNGSA-N
InChICode InChI=1S/C41H72O2/c1-8-10-11-12-13-14-15-16-17-18-39(42)43-34-25-27-40(6)33(29-34)21-22-35-37-24-23-36(41(37,7)28-26-38(35)40)31(5)19-20-32(9-2)30(3)4/h21,30-32,34-38H,8-20,22-29H2,1-7H3/t31-,32-,34+,35+,36-,37+,38+,40+,41-/m1/s1
SMILES CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CC[C@H](CC)C(C)C)[C@@]4(C)CC[C@@H]32)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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