input word = C00037626

Metabolite InformationStructural formula
Name Phytyl heneicosanoate
Formula C41H80O2
Mw 604.6158318
CAS RN 170708-87-9
C_ID C00037626 ,
InChIKey BNFMLXIGPPBJFN-FDDOFLOGNA-N
InChICode InChI=1S/C41H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-34-41(42)43-36-35-40(6)33-27-32-39(5)31-26-30-38(4)29-25-28-37(2)3/h35,37-39H,7-34,36H2,1-6H3/b40-35+/t38-,39-/m1/s1
SMILES C(CCC[C@H](CCC[C@H](CCC/C(=C/COC(=O)CCCCCCCCCCCCCCCCCCCC)/C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Simaruba amara Ref.
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