EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183896 - 9-phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one

ChEBI IDCHEBI:183896
ChEBI Name9-phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O4
Net Charge0
Average Mass342.435
Monoisotopic Mass342.18311
SMILESO=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O
InChIInChI=1S/C21H26O4/c22-17-14-19(24)21(20(25)15-17)18(23)13-9-4-2-1-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,14-15,22,24-25H,1-4,6,9-10,13H2
InChIKeyOOGZWXIAHJKVAH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
9-phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one (CHEBI:183896) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
9-phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one
Manual XrefsDatabases
22370087ChemSpider