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CHEBI:186323 - Ceratiolin

ChEBI IDCHEBI:186323
ChEBI NameCeratiolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O5
Net Charge0
Average Mass302.326
Monoisotopic Mass302.11542
SMILESCC1=C(O)C(C)(O)C(=O)C(C(=O)CCc2ccccc2)=C1O
InChIInChI=1S/C17H18O5/c1-10-14(19)13(16(21)17(2,22)15(10)20)12(18)9-8-11-6-4-3-5-7-11/h3-7,19-20,22H,8-9H2,1-2H3
InChIKeyRYOPKCVNBIKOJU-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)
Ceratiolin (CHEBI:186323) is a benzenes (CHEBI:22712)
IUPAC Name 
3,5,6-trihydroxy-4,6-dimethyl-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one
Manual XrefsDatabases
LMPK12120596LIPID MAPS
10306363ChemSpider