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Details of xanthotoxin

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Role Metabolite
MPIMP IDM001718
stereoisomer 
isotopomerambient
formulaC12H8O4
molecular mass216.190
monoisotopic mass216.04226
InChIInChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKeyQXKHYNVANLEOEG-UHFFFAOYSA-N
class 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%273cd3952e-831a-4eb0-8358-fec0c182bacf%27)

Synonyms of xanthotoxin

propertyvalue
CAS298-81-7
ChEBI IDCHEBI:18358
ChEBI ontologyhas role antineoplastic agent
ChEBI ontologyhas role cross-linking reagent
ChEBI ontologyhas role dermatologic drug
ChEBI ontologyhas role photosensitizing agent
ChEBI ontologyis a furanocoumarin
ChemSpider ID3971
MetaCycCPD-13042
synonym6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone
27 synonym(s)
    of 3    

Derivatives of xanthotoxin

Reference substances of xanthotoxin

reference substancesuppliersupplier codelot
No Reference substances found!

Isotopomers and stereoisomers of xanthotoxin

Quantitative xanthotoxin 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.
NameOrganismFactorHeatmapBox plotVarianceAnova F score
no metabolite profile(s) found.

Qualitative xanthotoxin Profile Data

species
no qualitative metabolite profile data available!
compound timestamp information
deposited at 9/25/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/7/2013 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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