Mid000015: p-Tolualdehyde
Metabolite Information
Name
p-Tolualdehyde
IUPAC Name
4-methylbenzaldehyde
Molecular Formula
C8H8O
Molecular Weight
120.15
Exact Mass
120.0575149
SMILES
CC1=CC=C(C=C1)C=O
InChIKey
FXLOVSHXALFLKQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
Other Databases Link
kegg_C06758
CID_7725
knapsack_C00047546
CID_7725
knapsack_C00047546
Structure
2D Structure
3D Conformer
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
Benzene and substituted derivatives
Subclass:
Benzoyl derivatives
Species containing this metabolite
| Arabidopsis thaliana | Asparagus filicinus | Coptis chinensis | Crataegus pinnatifida | Cucurbita moschata |
| Eupatorium fortunei | Gardenia jasminoides | Ginkgo biloba | Gleditsia japonica var. velutina | Illicium henryi |
| Morella rubra | Nerium oleander | Physcomitrium patens | Schisandra chinensis | Scutellaria barbata |
| Selaginella moellendorffii | Zea mays |
Metabolite Spectrum Accession Label