EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223169 - Undecyltyrazolone

ChEBI IDCHEBI:223169
ChEBI NameUndecyltyrazolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27NO3
Net Charge0
Average Mass329.440
Monoisotopic Mass329.19909
SMILESCCCCCCCCCCC1=NC(=Cc2ccc(O)cc2)C(=O)O1
InChIInChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-9-10-19-21-18(20(23)24-19)15-16-11-13-17(22)14-12-16/h11-15,22H,2-10H2,1H3
InChIKeyJEAKQFBLRLFHPL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonas rubra DSM 6842 (ncbitaxon:1117318) - PubMed (34099916)
ChEBI Ontology
Outgoing Relation(s)
Undecyltyrazolone (CHEBI:223169) has functional parent α-amino acid (CHEBI:33704)
Undecyltyrazolone (CHEBI:223169) is a organonitrogen compound (CHEBI:35352)
Undecyltyrazolone (CHEBI:223169) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-decyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one