input word = C00062284

Metabolite InformationStructural formula
Name Methylbutanedioic acid, bis(1-methylpropyl) ester
Formula C13H24O4
Mw 244.16745925
CAS RN 57983-31-0
C_ID C00062284
InChIKey YJJLDYAUGTVVPM-UHFFFAOYSA-N
InChICode InChI=1S/C13H24O4/c1-6-10(4)16-12(14)8-9(3)13(15)17-11(5)7-2/h9-11H,6-8H2,1-5H3
SMILES CCC(C)OC(=O)CC(C)C(=O)OC(C)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
zoom in