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Details Quinic acid, 3-caffeoyl-, E-

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Role Reference Substance
nameQuinic acid, 3-caffeoyl-, E-
MPIMP IDR100159
stereoisomerE-
isotopomerambient
formulaC16H18O9
molecular mass354.309
monoisotopic mass354.09509
InChIInChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
InChIKeyCWVRJTMFETXNAD-JUHZACGLSA-N
supplierSefkow M, University of Potsdam, Institute of Organic Chemistry and Structure Analysis, Karl-Liebknecht-Strasse 24-25, D-14476 Golm, Germany
supplier code 
lot 
purity 
solubility 
general 
amount 
amount unit 
store temperature 1 
store temperature 2 
store dryFalse
store under argonFalse
store in darkFalse
contributing authorKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Kopka J), Am Muehlenberg 1, D-14476 Golm, Germany
date of order 
date in2004-08-26
date out2005-09-01
date expired 
box number 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%2755d24bed-97a8-4a3f-a300-5e083b3aecbd%27)

Synonyms of Quinic acid, 3-caffeoyl-, E-

propertyvalue
BRENDA7056
CAS202650-88-2
CAS327-97-9
CAS6001-76-9
ChEBI IDChEBI:16112
ChEBI ontologyis a tannin
ChEBI ontologyis conjugate acid of chlorogenate
ChemSpider ID1405788
MAPMANChlorogenate
PubChem CID1794427
34 synonym(s)

Metabolites mapped to Quinic acid, 3-caffeoyl-, E-

Replica of Quinic acid, 3-caffeoyl-, E-

compound timestamp information
deposited at 8/29/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 5/21/2012 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 03/01/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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