input word = C00036581

Metabolite InformationStructural formula
Name 4-Isopropylbenzoic acid
cumic acid
Formula C10H12O2
Mw 164.08372963
CAS RN 536-66-3
C_ID C00036581 ,
InChICode InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
SMILES c1c(ccc(c1)C(C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Kingdom Family Species Reference
PlantaeApiaceaeCuminum cyminum Ref.
PlantaeApiaceaeFerula spp. Ref.
PlantaeCupressaceaeLibocedrus yateensis Ref.
PlantaeLabiataePerilla frutescens Ref.
PlantaePhyllanthaceaeBridelia retusa Ref.
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OrganismPerilla frutescens
ReferenceAldrich Library of 13C and 1H FT NMR Spectra,2,(1992),1073C