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CHEBI:178979 - Plantagonine

Default Structure
ChEBI IDCHEBI:178979
ChEBI NamePlantagonine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H11NO2
Net Charge0
Average Mass177.203
Monoisotopic Mass177.07898
SMILESC[C@H]1CCc2c(C(=O)O)cncc21
InChIInChI=1S/C10H11NO2/c1-6-2-3-7-8(6)4-11-5-9(7)10(12)13/h4-6H,2-3H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyRLNQBGQGMYNOCX-LURJTMIESA-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)
Plantagonine (CHEBI:178979) is a aromatic carboxylic acid (CHEBI:33859)
Plantagonine (CHEBI:178979) is a pyridines (CHEBI:26421)
IUPAC Name 
(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid
Manual XrefsDatabases
52083452ChemSpider
Registry NumbersSources
CAS:21913-34-8ChemIDplus