input word = C00037632

Metabolite InformationStructural formula
Name Phytyl tetracosanoate
Formula C44H86O2
Mw 646.66278199
CAS RN 71608-05-4
C_ID C00037632 ,
InChIKey UQXPECUYWKWXQA-ODLRTIQTNA-N
InChICode InChI=1S/C44H86O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37-44(45)46-39-38-43(6)36-30-35-42(5)34-29-33-41(4)32-28-31-40(2)3/h38,40-42H,7-37,39H2,1-6H3/b43-38+/t41-,42-/m1/s1
SMILES C(CCC[C@H](CCC[C@H](CCC/C(=C/COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)/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