GOLM METABOLOME DATABASE

Details of Coumarin

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Role Analyte
nameCoumarin
MPIMP IDA146009
isotopomerambient
formulaC9H6O2
molecular mass146.143
monoisotopic mass146.03678
InChIInChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKeyZYGHJZDHTFUPRJ-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,467.75
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27d3e956c4-9541-4f57-9435-7d915c38e19e%27)

Synonyms of Coumarin

propertyvalue
BRENDA28119
CAS91-64-5
ChEBI IDChEBI:28794
ChEBI ontologyhas role fluorescent dye
ChEBI ontologyhas role secondary metabolite
ChEBI ontologyis a coumarins
ChemSpider ID13848793
MAPMANCoumarine
MetaCycCOUMARIN
PubChem CID323
29 synonym(s)

Metabolite mapped to Coumarin

metabolitestereoisomerisotopomer
Coumarin  ambient
1 metabolite(s)

Reference spectra of Coumarin

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM VAR5Reference Substance
27/19/2007 11:16:30 AM MDN35Reference Substance
2 spectrum(a)
compound timestamp information
deposited at 7/16/2007 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 Strehmel N., Kopka J., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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