EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188425 - 3,4,5-trihydroxy-6-[4-(4-methyl-3-oxopentyl)phenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:188425
ChEBI Name3,4,5-trihydroxy-6-[4-(4-methyl-3-oxopentyl)phenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O8
Net Charge0
Average Mass368.382
Monoisotopic Mass368.14712
SMILESCC(C)C(=O)CCc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1
InChIInChI=1S/C18H24O8/c1-9(2)12(19)8-5-10-3-6-11(7-4-10)25-18-15(22)13(20)14(21)16(26-18)17(23)24/h3-4,6-7,9,13-16,18,20-22H,5,8H2,1-2H3,(H,23,24)
InChIKeyIOGLJJMZVPETNG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS3886)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[4-(4-methyl-3-oxopentyl)phenoxy]oxane-2-carboxylic acid (CHEBI:188425) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[4-(4-methyl-3-oxopentyl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0132962HMDB