EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:137478 - γ-3,4-trihydroxybenzenepentanoic acid

Default Structure
ChEBI IDCHEBI:137478
ChEBI Nameγ-3,4-trihydroxybenzenepentanoic acid
Stars
ASCII Namegamma-3,4-trihydroxybenzenepentanoic acid
Last Modified20 June 2017
Submittermwilliams
DownloadsMolfile
FormulaC11H14O5
Net Charge0
Average Mass226.228
Monoisotopic Mass226.08412
SMILESO=C(O)CCC(O)Cc1ccc(O)c(O)c1
InChIInChI=1S/C11H14O5/c12-8(2-4-11(15)16)5-7-1-3-9(13)10(14)6-7/h1,3,6,8,12-14H,2,4-5H2,(H,15,16)
InChIKeyJDBYFCLHVYVXCX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
γ-3,4-trihydroxybenzenepentanoic acid (CHEBI:137478) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
5-(3,4-dihydroxyphenyl)-4-hydroxypentanoic acid
Manual XrefsDatabases
35015217ChemSpider
HMDB0041679HMDB