CHEBI:16331 - phloretate

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ChEBI Name phloretate ChEBI ID CHEBI:16331 Definition A hydroxy monocarboxylic acid anion that is the conjugate base of phloretic acid, arising from deprotonation of the carboxy group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:19933, CHEBI:14786 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H9O3 Net Charge -1 Average Mass 165.16600 Monoisotopic Mass 165.05572 InChI InChI=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 InChIKey NMHMNPHRMNGLLB-UHFFFAOYSA-M SMILES Oc1ccc(CCC([O-])=O)cc1 ChEBI Ontology Outgoing 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 phloretic acid (CHEBI:32980) is conjugate acid of phloretate (CHEBI:16331) IUPAC Name 3-(4-hydroxyphenyl)propanoate Synonyms Sources 3-(4-hydroxyphenyl)propanate ChEBI phloretate UniProt Manual Xref Database C01744 KEGG COMPOUND View more database links Registry Number Type Source 1785227 Gmelin Registry Number Gmelin Last Modified 20 April 2015