input word = C00037630

Metabolite InformationStructural formula
Name Phytyl pentacosanoate
Formula C45H88O2
Mw 660.67843205
CAS RN 503002-23-1
C_ID C00037630 ,
InChIKey MUUSOBOQULNKOR-WQLZJKNENA-N
InChICode InChI=1S/C45H88O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-38-45(46)47-40-39-44(6)37-31-36-43(5)35-30-34-42(4)33-29-32-41(2)3/h39,41-43H,7-38,40H2,1-6H3/b44-39+/t42-,43-/m1/s1
SMILES C(CCC[C@H](CCC[C@H](CCC/C(=C/COC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)/C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Simaruba amara Ref.
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