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

  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