input word = C00036715

Metabolite InformationStructural formula
Name alpha-Tocopheryl dodecanoate
Formula C41H72O3
Mw 612.54814616
CAS RN 156788-71-5
C_ID C00036715 ,
InChIKey LKXPKSQJPODMBU-KUQMUSCNNA-N
InChICode InChI=1S/C41H72O3/c1-10-11-12-13-14-15-16-17-18-27-38(42)43-39-34(6)35(7)40-37(36(39)8)28-30-41(9,44-40)29-21-26-33(5)25-20-24-32(4)23-19-22-31(2)3/h31-33H,10-30H2,1-9H3/t32-,33-,41-/m1/s1
SMILES c12c(CC[C@](O1)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)c(c(c(c2C)C)OC(=O)CCCCCCCCCCC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLecythidaceaeBertholletia excelsa Ref.
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