EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192565 - 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid

ChEBI IDCHEBI:192565
ChEBI Name4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H15NO3
Net Charge0
Average Mass245.278
Monoisotopic Mass245.10519
SMILESO=C(O)C=CC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C14H15NO3/c16-13(8-9-14(17)18)15-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-9H,1-2,4,6H2,(H,15,16)(H,17,18)
InChIKeyNWIOLOZYQWUIIL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid (CHEBI:192565) is a tetralins (CHEBI:36786)
IUPAC Name 
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid
Manual XrefsDatabases
2013828ChemSpider