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> Main
CHEBI:36648 - 3-ethoxybenzoate
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ChEBI Ontology
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ChEBI Name
3-ethoxybenzoate
ChEBI ID
CHEBI:36648
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This entity has been manually annotated by the ChEBI Team.
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Formula
C9H9O3
Net Charge
-1
Average Mass
165.16596
Monoisotopic Mass
165.05572
InChI
InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)/p-1
InChIKey
DTFQMPQJMDEWKJ-UHFFFAOYSA-M
SMILES
CCOc1cccc(c1)C([O-])=O
ChEBI Ontology
Outgoing
3-ethoxybenzoate (
CHEBI:36648
)
has functional parent
benzoate (
CHEBI:16150
)
3-ethoxybenzoate (
CHEBI:36648
)
is a
ethoxybenzoate (
CHEBI:23983
)
3-ethoxybenzoate (
CHEBI:36648
)
is conjugate base of
3-ethoxybenzoic acid (
CHEBI:27990
)
Incoming
3-ethoxybenzoic acid (
CHEBI:27990
)
is conjugate acid of
3-ethoxybenzoate (
CHEBI:36648
)
IUPAC Name
3-ethoxybenzoate
Synonym
Source
3-Ethoxybenzoate
KEGG COMPOUND
Manual Xref
Database
C02363
KEGG COMPOUND
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Last Modified
25 September 2006