trigonelline

Chemical Formula:

C₇H₇NO₂

Molecular Weight:

137.138 Daltons

Monoisotopic Mass:

138.0555035062 Daltons

SMILES:

C1(=C(C([O-])=O)C=CC=[N+](C)1)

InChI:

1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3

InChIKey:

WWNNZCOKKKDOPX-UHFFFAOYSA-N

Synonyms

1-methylnicotinate
N-methylnicotinate

Databases

MetaCyc: METHYLNICOTINATE

RefMet: Trigonelline

MetaboLights: MTBLC18123

HMDB: HMDB00875

ChemSpider: 5369

PubChem (CID): 5570

ChEBI: 18123

KEGG: C01004

Seed: cpd00737

MetaNetX: MNXM4063