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CHEBI:79608 - 1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid

Default Structure
ChEBI IDCHEBI:79608
ChEBI Name1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid
Stars
DownloadsMolfile
FormulaC15H15NO4
Net Charge0
Average Mass273.288
Monoisotopic Mass273.10011
SMILESCOc1cccc(CCn2cc(C(=O)O)ccc2=O)c1
InChIInChI=1S/C15H15NO4/c1-20-13-4-2-3-11(9-13)7-8-16-10-12(15(18)19)5-6-14(16)17/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyDUZPHOXXWYWLFE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid (CHEBI:79608) is a aromatic carboxylic acid (CHEBI:33859)
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid (CHEBI:79608) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
C15089KEGG COMPOUND