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Details of 1,4-cyclohexanedione

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Role	Metabolite
MPIMP ID	M001267
stereoisomer
isotopomer	ambient
formula	C6H8O2
molecular mass	112.127
monoisotopic mass	112.05243
InChI	InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2
InChIKey	DCZFGQYXRKMVFG-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27afcacd5f-9e53-475a-b8a8-9ec6614385b7%27)

Synonyms of 1,4-cyclohexanedione

property	value
CAS	637-88-7
ChEBI ID	CHEBI:28286
ChEBI ontology	is a cyclohexanedione
ChemSpider ID	11995
synonym	1,4-Cyclohexanedione
synonym	1,4-dioxocyclohexane
synonym	cyclohexane-1,4-dione
synonym	tetrahydroquinone
8 synonym(s)

Derivatives of 1,4-cyclohexanedione

analyte	stereoisomer	isotopomer
[12511] 1,4-cyclohexanedione 1 [10.212]		ambient
[12511] 1,4-cyclohexanedione 2 [10.344]		ambient
2 analyte(s)

Reference substances of 1,4-cyclohexanedione

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of 1,4-cyclohexanedione

metabolite	stereoisomer	isotopomer
no hits!

Quantitative 1,4-cyclohexanedione Profile Data

Each graph visualises metabolite concentrations across a single metabolite profiling experiment. Each box plot represents relative (normalised) metabolite concentrations for single replica groups in the specific metabolite profiling experiment.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova F score
no metabolite profile(s) found.

Qualitative 1,4-cyclohexanedione Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 9/22/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 10/1/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Hummel J.

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