CHEBI:89654 - 4-Hydroxy-benzenepropanedioate

ChEBI IDCHEBI:89654
ChEBI Name4-Hydroxy-benzenepropanedioate
Stars
DownloadsMolfile
FormulaC9H8O5
Net Charge0
Average Mass196.158
Monoisotopic Mass196.03717
SMILESO=C(O)CC(=O)Oc1ccc(O)cc1
InChIInChI=1S/C9H8O5/c10-6-1-3-7(4-2-6)14-9(13)5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKeyLEOVWDSHDAVANJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22624806)
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxy-benzenepropanedioate (CHEBI:89654) is a benzoate ester (CHEBI:36054)
4-Hydroxy-benzenepropanedioate (CHEBI:89654) is a phenols (CHEBI:33853)
Synonyms  Source
3-(4-hydroxyphenoxy)-3-oxopropanoic acidHMDB
3-(4-hydroxyphenoxy)-3-oxopropanoic acidHMDB
Manual XrefsDatabases
HMDB0059809HMDB
Citations