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CHEBI:167836 - Sorbicillin

ChEBI IDCHEBI:167836
ChEBI NameSorbicillin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O3
Net Charge0
Average Mass232.279
Monoisotopic Mass232.10994
SMILESC/C=C/C=C/C(=O)c1cc(C)c(O)c(C)c1O
InChIInChI=1S/C14H16O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)10(3)14(11)17/h4-8,16-17H,1-3H3/b5-4+,7-6+
InChIKeyRKKPUBAAIGFXOG-YTXTXJHMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Sorbicillin (CHEBI:167836) is a phenols (CHEBI:33853)
IUPAC Name 
(2E,4E)-1-(2,4-dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-1-one
Manual XrefsDatabases
4525514ChemSpider
Registry NumbersSources
CAS:79950-85-9ChemIDplus