Met009745: Ethylbenzene
Metabolite Information
Name
Ethylbenzene
IUPAC Name
ethylbenzene
Molecular Formula
C8H10
Molecular Weight
106.16
Exact Mass
106.0782503
SMILES
CCC1=CC=CC=C1
InChIKey
YNQLUTRBYVCPMQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
Benzene and substituted derivatives
Subclass:
NA
Crops containing this metabolite
morus
leonurus
leonurus
Metabolite Spectrum Accession Label