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CHEBI:185110 - Neoraunone

ChEBI IDCHEBI:185110
ChEBI NameNeoraunone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O5
Net Charge0
Average Mass324.332
Monoisotopic Mass324.09977
SMILESCOc1ccc(C2COc3cc4occc4cc3C2=O)c(OC)c1
InChIInChI=1S/C19H16O5/c1-21-12-3-4-13(17(8-12)22-2)15-10-24-18-9-16-11(5-6-23-16)7-14(18)19(15)20/h3-9,15H,10H2,1-2H3
InChIKeyGYRNIBZHZCUTTL-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)
Neoraunone (CHEBI:185110) is a ether (CHEBI:25698)
Neoraunone (CHEBI:185110) is a flavonoids (CHEBI:72544)
IUPAC Name 
6-(2,4-dimethoxyphenyl)-6,7-dihydrouro[3,2-g]chromen-5-one
Manual XrefsDatabases
LMPK12050453LIPID MAPS
24842907ChemSpider