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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:36647 - 2,3-dihydroxy-
p
-cumate
Main
ChEBI Ontology
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ChEBI Name
2,3-dihydroxy-
p
-cumate
ChEBI ID
CHEBI:36647
ChEBI ASCII Name
2,3-dihydroxy-p-cumate
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11425, CHEBI:19318
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Formula
C10H11O4
Net Charge
-1
Average Mass
195.19194
Monoisotopic Mass
195.06628
InChI
InChI=1S/C10H12O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,11-12H,1-2H3,(H,13,14)/p-1
InChIKey
ZHDLAGPONFNQMZ-UHFFFAOYSA-M
SMILES
CC(C)c1ccc(C([O-])=O)c(O)c1O
ChEBI Ontology
Outgoing
2,3-dihydroxy-
p
-cumate (
CHEBI:36647
)
has functional parent
p
-cumate (
CHEBI:25822
)
2,3-dihydroxy-
p
-cumate (
CHEBI:36647
)
is a
dihydroxybenzoate (
CHEBI:36084
)
2,3-dihydroxy-
p
-cumate (
CHEBI:36647
)
is conjugate base of
2,3-dihydroxy-
p
-cumic acid (
CHEBI:16725
)
Incoming
2,3-dihydroxy-
p
-cumic acid (
CHEBI:16725
)
is conjugate acid of
2,3-dihydroxy-
p
-cumate (
CHEBI:36647
)
IUPAC Name
2,3-dihydroxy-4-(propan-2-yl)benzoate
Synonyms
Sources
2,3-dihydroxy-4-(1-methylethyl)benzoate
ChEBI
2,3-dihydroxy-4-isopropylbenzoate
ChEBI
2,3-dihydroxy-
p
-cumate
UniProt
4-isopropyl-
o
-pyrocatechuate
ChEBI
Manual Xrefs
Databases
c0380
UM-BBD
C06580
KEGG COMPOUND
View more database links
Last Modified
23 July 2014