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CHEBI:185512 - 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione

ChEBI IDCHEBI:185512
ChEBI Name4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O3
Net Charge0
Average Mass270.328
Monoisotopic Mass270.12559
SMILESCC1=C(C(=O)CCc2ccccc2)C(=O)C(C)(C)C1=O
InChIInChI=1S/C17H18O3/c1-11-14(16(20)17(2,3)15(11)19)13(18)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
InChIKeyJLCDLBNIBBAWCH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione (CHEBI:185512) is a benzenes (CHEBI:22712)
IUPAC Name 
2,2,4-trimethyl-5-(3-phenylpropanoyl)cyclopent-4-ene-1,3-dione
Manual XrefsDatabases
24846146ChemSpider
LMPK12120611LIPID MAPS