input word = C00055801

Metabolite InformationStructural formula
Name Diisobutyl phthalate
Isobutyl phthalate
Formula C16H22O4
Mw 278.15180919
CAS RN 84-69-5
C_ID C00055801
InChIKey MGWAVDBGNNKXQV-UHFFFAOYSA-N
InChICode InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
SMILES CC(COC(C1=CC=CC=C1C(OCC(C)C)=O)=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites hybridus Ref.
PlantaeZingiberaceaeCurcuma mangga Ref.
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OrganismCurcuma mangga
ReferenceWahab, I. R. A. et al., Chem. Biodiversity, 8, (2011), 2005-2014.