input word = C00037625

Metabolite InformationStructural formula
Name Phytyl eicosanoate
Formula C40H78O2
Mw 590.60018173
CAS RN 80155-87-9
C_ID C00037625 ,
InChIKey YFMVXAVIGSMESB-QDXLGITBNA-N
InChICode InChI=1S/C40H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-40(41)42-35-34-39(6)32-26-31-38(5)30-25-29-37(4)28-24-27-36(2)3/h34,36-38H,7-33,35H2,1-6H3/b39-34+/t37-,38-/m1/s1
SMILES C(CCC[C@H](CCC[C@H](CCC/C(=C/COC(=O)CCCCCCCCCCCCCCCCCCC)/C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Simaruba amara Ref.
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OrganismSimaruba amara
ReferencePereira,Phytochem.,61,(2002),711