EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:190121 - Negletein

ChEBI IDCHEBI:190121
ChEBI NameNegletein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O5
Net Charge0
Average Mass284.267
Monoisotopic Mass284.06847
SMILESCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O
InChIInChI=1S/C16H12O5/c1-20-13-8-12-14(16(19)15(13)18)10(17)7-11(21-12)9-5-3-2-4-6-9/h2-8,18-19H,1H3
InChIKeyZTHLHHDJRXJGRX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Negletein (CHEBI:190121) is a ether (CHEBI:25698)
Negletein (CHEBI:190121) is a flavonoids (CHEBI:72544)
IUPAC Name 
5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one
Manual XrefsDatabases
HMDB0134889HMDB
414288ChemSpider
LMPK12111097LIPID MAPS
Registry NumbersSources
CAS:29550-13-8ChemIDplus