input word = C00058954

Metabolite InformationStructural formula
Name Bis(2-ethylhexyl) adipate
Formula C22H42O4
Mw 370.30830983
CAS RN 103-23-1
C_ID C00058954
InChIKey SAOKZLXYCUGLFA-UHFFFAOYSA-N
InChICode InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
SMILES CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
--Caffea sp. Ref.
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