input word = C00021112

Metabolite InformationStructural formula
Name 2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Formula C18H28O3
Mw 292.20384476
CAS RN 81427-00-1
C_ID C00021112 ,
InChIKey VLVAXURMCCHFLL-UHFFFAOYNA-N
InChICode InChI=1S/C18H28O3/c1-13(2)9-19-11-18(12-21-18)16-7-6-15(5)8-17(16)20-10-14(3)4/h6-8,13-14H,9-12H2,1-5H3/t18-/m0/s1
SMILES c1(ccc(c(c1)OCC(C)C)[C@@]1(CO1)COCC(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrasilia sickii Ref.
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OrganismBrasilia sickii
ReferenceBohlmann,Phytochem.,22,(1983),1213