Mid000041: Trigonelline
Metabolite Information
Name
Trigonelline
IUPAC Name
1-methylpyridin-1-ium-3-carboxylate
Molecular Formula
C7H7NO2
Molecular Weight
137.14
Exact Mass
137.0476785
SMILES
C[N+]1=CC=CC(=C1)C(=O)[O-]
InChIKey
WWNNZCOKKKDOPX-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
Other Databases Link
CAS:535-83-1
KEGG:C01004
KEGG:C01004
Structure
2D Structure
3D Conformer
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Alkaloids and derivatives
Class:
NA
Subclass:
NA
Species containing this metabolite
Acer truncatum | Aconitum carmichaelii | Albizia julibrissin | Allium macrostemon | Amorpha fruticosa |
Arabidopsis thaliana | Aristolochia tubiflora | Artocarpus heterophyllus | Arundina graminifolia | Astragalus membranaceus |
Begonia cucullata | Bletilla striata | Boehmeria nivea | Bombax ceiba | Broussonetia papyrifera |
Calliandra haematocephala | Canna indica | Carica papaya | Cercis glabra | Clematis chinensis |
Coffea arabica | Cucurbita moschata | Cycas revoluta | Dalbergia assamica | Dalbergia odorifera |
Dioscorea bulbifera | Erythrina variegata | Euonymus alatus | Eupatorium fortunei | Ficus carica |
Gardenia jasminoides | Ginkgo biloba | Glycine max | Hemerocallis fulva | Houpoea officinalis |
Houttuynia cordata | Hypericum longistylum | Illicium henryi | Indigofera bungeana | Laurus nobilis |
Leonurus japonicus | Lespedeza thunbergii subsp. Formosa | Lindera megaphylla | Liriodendron chinense | Macadamia ternifolia |
Manihot esculenta | Medicago sativa | Melia azedarach | Michelia maudiae | Morella rubra |
Morus alba | Musa balbisiana | Nerium oleander | Nymphaea tetragona | Ophiopogon bodinieri |
Ormosia hosiei | Oryza sativa | Passiflora edulis | Perilla frutescens | Persicaria chinensis |
Pinellia pedatisecta | Pinellia ternata | Pithecellobium dulce | Platycodon grandiflorus | Pleuropterus multiflorus |
Polygonatum cyrtonema | Portulaca oleracea | Prunus spinosa | Pterocarpus macrocarpus | Rhynchosia volubilis |
Robinia pseudoacacia | Rosa multiflora | Rostellularia procumbens | Schisandra chinensis | Scutellaria barbata |
Sesbania cannabina | Solanum nigrum | Speirantha gardenii | Stachyurus yunnanensis | Stemona japonica |
Styphnolobium japonicum | Tamarindus indica | Taraxacum mongolicum | Taxus wallichiana var. chinensis | Toxicodendron succedaneum |
Triticum aestivum | Wisteria sinensis | Zanthoxylum armatum | Zea mays | Ziziphus jujuba |
Metabolite Spectrum Accession Label