Met000270: Bicyclo[4.2.0]octa-1,3,5-triene
Metabolite Information
Name
Bicyclo[4.2.0]octa-1,3,5-triene
IUPAC Name
bicyclo[4.2.0]octa-1,3,5-triene
Molecular Formula
C8H8
Molecular Weight
104.15
Exact Mass
104.0626003
SMILES
C1CC2=CC=CC=C21
InChIKey
UMIVXZPTRXBADB-UHFFFAOYSA-N
InChI
InChI=1S/C8H8/c1-2-4-8-6-5-7(8)3-1/h1-4H,5-6H2
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
NA
Subclass:
NA
Crops containing this metabolite
morus
s_miltiorrhiza
leonurus
s_miltiorrhiza
leonurus
Metabolite Spectrum Accession Label