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CHEBI:171878 - Tridecyl phloretate

ChEBI IDCHEBI:171878
ChEBI NameTridecyl phloretate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O3
Net Charge0
Average Mass348.527
Monoisotopic Mass348.26645
SMILESCCCCCCCCCCCCCOC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-25-22(24)18-15-20-13-16-21(23)17-14-20/h13-14,16-17,23H,2-12,15,18-19H2,1H3
InChIKeyLMHWNJAOHBYRNG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Tridecyl phloretate (CHEBI:171878) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
tridecyl 3-(4-hydroxyphenyl)propanoate
Manual XrefsDatabases
30777089ChemSpider
HMDB0035477HMDB