EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211597 - 1-(2′-Hydroxy-4′-methoxy-5′-methylphenyl)-E,E-2,4-hexadien-1-one

ChEBI IDCHEBI:211597
ChEBI Name1-(2′-Hydroxy-4′-methoxy-5′-methylphenyl)-E,E-2,4-hexadien-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O3
Net Charge0
Average Mass232.279
Monoisotopic Mass232.10994
SMILESC/C=C/C=C/C(=O)c1cc(C)c(OC)cc1O
InChIInChI=1S/C14H16O3/c1-4-5-6-7-12(15)11-8-10(2)14(17-3)9-13(11)16/h4-9,16H,1-3H3/b5-4+,7-6+
InChIKeyRIXFUJVWYPOMHN-YTXTXJHMSA-N
Species of MetaboliteComponentSourceComments
Phaeoacremoniumspecies NRRL 32148 (ncbitaxon:1054402) - PubMed (16441079)
ChEBI Ontology
Outgoing Relation(s)
1-(2′-Hydroxy-4′-methoxy-5′-methylphenyl)-E,E-2,4-hexadien-1-one (CHEBI:211597) is a methoxybenzenes (CHEBI:51683)
1-(2′-Hydroxy-4′-methoxy-5′-methylphenyl)-E,E-2,4-hexadien-1-one (CHEBI:211597) is a phenols (CHEBI:33853)
IUPAC Name 
(2E,4E)-1-(2-hydroxy-4-methoxy-5-methylphenyl)hexa-2,4-dien-1-one
Manual XrefsDatabases
9768588ChemSpider