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CHEBI:184790 - Infectocaryone

ChEBI IDCHEBI:184790
ChEBI NameInfectocaryone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O4
Net Charge0
Average Mass298.338
Monoisotopic Mass298.12051
SMILESCOC(=O)C[C@H]1CC=CC(=O)/C1=C(O)/C=C/c1ccccc1
InChIInChI=1S/C18H18O4/c1-22-17(21)12-14-8-5-9-15(19)18(14)16(20)11-10-13-6-3-2-4-7-13/h2-7,9-11,14,20H,8,12H2,1H3/b11-10+,18-16-/t14-/m1/s1
InChIKeyHAXYQNFQUDHACW-LVJWOEPNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Infectocaryone (CHEBI:184790) is a quinomethanes (CHEBI:52404)
IUPAC Name 
methyl 2-[(1R,6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-oxocyclohex-3-en-1-yl]acetate
Manual XrefsDatabases
LMPK12120418LIPID MAPS
8555365ChemSpider