input word = C00037623

Metabolite InformationStructural formula
Name Phytyl docosanoate
Formula C42H82O2
Mw 618.63148186
CAS RN 127353-53-1
C_ID C00037623 ,
InChIKey XXKYPSUJCPZTKV-GHNYWYJBNA-N
InChICode InChI=1S/C42H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35-42(43)44-37-36-41(6)34-28-33-40(5)32-27-31-39(4)30-26-29-38(2)3/h36,38-40H,7-35,37H2,1-6H3/b41-36+/t39-,40-/m1/s1
SMILES C(CCC[C@H](CCC[C@H](CCC/C(=C/COC(=O)CCCCCCCCCCCCCCCCCCCCC)/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