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CHEBI:223156 - Heptyltyrazolone

ChEBI IDCHEBI:223156
ChEBI NameHeptyltyrazolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21NO3
Net Charge0
Average Mass287.359
Monoisotopic Mass287.15214
SMILESCCCCCCCC1=NC(=Cc2ccc(O)cc2)C(=O)O1
InChIInChI=1S/C17H21NO3/c1-2-3-4-5-6-7-16-18-15(17(20)21-16)12-13-8-10-14(19)11-9-13/h8-12,19H,2-7H2,1H3
InChIKeyYFJGKMTXYRZHKG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonas rubra DSM 6842 (ncbitaxon:1117318) - PubMed (34099916)
ChEBI Ontology
Outgoing Relation(s)
Heptyltyrazolone (CHEBI:223156) has functional parent α-amino acid (CHEBI:33704)
Heptyltyrazolone (CHEBI:223156) is a organonitrogen compound (CHEBI:35352)
Heptyltyrazolone (CHEBI:223156) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-heptyl-4-[(4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one