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CHEBI:215160 - Climacomontaninate B

Default Structure
ChEBI IDCHEBI:215160
ChEBI NameClimacomontaninate B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18N2O3
Net Charge0
Average Mass250.298
Monoisotopic Mass250.13174
SMILESCCCCc1ccc(C(=O)NCC(=O)OC)nc1
InChIInChI=1S/C13H18N2O3/c1-3-4-5-10-6-7-11(14-8-10)13(17)15-9-12(16)18-2/h6-8H,3-5,9H2,1-2H3,(H,15,17)
InChIKeyUFGOYDVOCQNQRP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Climacocystis montana (ncbitaxon:1519435) - DOI (10.1016/j.phytol.2018.05.019)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Climacomontaninate B (CHEBI:215160) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
methyl 2-[(5-butylpyridine-2-carbonyl)amino]acetate