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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:25822 -
p
-cumate
Main
ChEBI Ontology
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ChEBI Name
p
-cumate
ChEBI ID
CHEBI:25822
ChEBI ASCII Name
p-cumate
Definition
A cumate that is the conjugate base of
p
-cumic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H11O2
Net Charge
-1
Average Mass
163.19314
Monoisotopic Mass
163.07645
InChI
InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)/p-1
InChIKey
CKMXAIVXVKGGFM-UHFFFAOYSA-M
SMILES
CC(C)c1ccc(cc1)C([O-])=O
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
p
-cumate (
CHEBI:25822
)
has role
plant metabolite (
CHEBI:76924
)
p
-cumate (
CHEBI:25822
)
is a
cumate (
CHEBI:23410
)
p
-cumate (
CHEBI:25822
)
is conjugate base of
p
-cumic acid (
CHEBI:28122
)
Incoming
2,3-dihydroxy-
p
-cumate (
CHEBI:36647
)
has functional parent
p
-cumate (
CHEBI:25822
)
p
-cumic acid (
CHEBI:28122
)
is conjugate acid of
p
-cumate (
CHEBI:25822
)
IUPAC Name
4-(propan-2-yl)benzoate
Synonyms
Sources
4-(1-methylethyl)benzoate
ChEBI
4-isopropylbenzoate
ChEBI
p-Cumate
KEGG COMPOUND
p
-cumate
UniProt
Manual Xrefs
Databases
c0378
UM-BBD
C06578
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
3904935
Reaxys Registry Number
Reaxys
3904935
Beilstein Registry Number
Beilstein
Last Modified
02 September 2014