Met006129: gamma-Pentachlorocyclohexene
Metabolite Information
Name
gamma-Pentachlorocyclohexene
IUPAC Name
(3R,4S,5S,6R)-1,3,4,5,6-pentachlorocyclohexene
Molecular Formula
C6H5Cl5
Molecular Weight
254.4
Exact Mass
253.880439
SMILES
C1=C(C(C(C(C1Cl)Cl)Cl)Cl)Cl
InChIKey
MQYAVRUCONBHOR-JSTMLOLSSA-N
InChI
InChI=1S/C6H5Cl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4-6H/t2-,4+,5+,6+/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organohalogen compounds
Class:
Vinyl halides
Subclass:
Vinyl chlorides
Crops containing this metabolite
cabbage
carrot
cauliflower
fig
kiwifruit
lemon
muskmelon
okra
parsley
pear
spinach
tomato
turnip
carrot
cauliflower
fig
kiwifruit
lemon
muskmelon
okra
parsley
pear
spinach
tomato
turnip
Metabolite Spectrum Accession Label