Met006604: 4-Ethynylaniline
Metabolite Information
Name
4-Ethynylaniline
IUPAC Name
4-ethynylaniline
Molecular Formula
C8H5NH2
Molecular Weight
117.15
Exact Mass
117.0578492
SMILES
C#CC1=CC=C(C=C1)N
InChIKey
JXYITCJMBRETQX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
Benzene and substituted derivatives
Subclass:
Aniline and substituted anilines
Crops containing this metabolite
cassava
medicago
rice
soybean
medicago
rice
soybean
Metabolite Spectrum Accession Label