EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229162 - Maokonine

ChEBI IDCHEBI:229162
ChEBI NameMaokonine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H17NO3
Net Charge0
Average Mass223.272
Monoisotopic Mass223.12084
SMILESC[N+](C)(C)CCc1ccc([O-])cc1C(=O)O
InChIInChI=1S/C12H17NO3/c1-13(2,3)7-6-9-4-5-10(14)8-11(9)12(15)16/h4-5,8H,6-7H2,1-3H3,(H-,14,15,16)
InChIKeyHTCQNXQVACMNDD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Maokonine (CHEBI:229162) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
3-carboxy-4-[2-(trimethylazaniumyl)ethyl]phenolate
Manual XrefsDatabases
166604ChemSpider