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CHEBI:16331 - phloretate

ChEBI IDCHEBI:16331
ChEBI Namephloretate
Stars
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of phloretic acid, arising from deprotonation of the carboxy group.
Secondary ChEBI IDsCHEBI:14786, CHEBI:19933
Last Modified20 April 2015
DownloadsMolfile
FormulaC9H9O3
Net Charge-1
Average Mass165.168
Monoisotopic Mass165.05572
SMILESO=C([O-])CCc1ccc(O)cc1
InChIInChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)/p-1
InChIKeyNMHMNPHRMNGLLB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
phloretate (CHEBI:16331) has functional parent propionate (CHEBI:17272)
phloretate (CHEBI:16331) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
phloretate (CHEBI:16331) is conjugate base of phloretic acid (CHEBI:32980)
Incoming Relation(s)
phloretic acid (CHEBI:32980) is conjugate acid of phloretate (CHEBI:16331)
IUPAC Name 
3-(4-hydroxyphenyl)propanoate
Synonym  Source
3-(4-hydroxyphenyl)propanateChEBI
UniProt Name  Source
phloretateUniProt
Manual XrefsDatabases
C01744KEGG COMPOUND
Registry NumbersSources
Gmelin:1785227Gmelin