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Details Quinic acid, 3-caffeoyl-, E-

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Role Reference Substance
nameQuinic acid, 3-caffeoyl-, E-
MPIMP IDR000052
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
supplierSigma
supplier codeL3878
lot56H7760
purity 
solubility 
general 
amount100
amount unitMG
store temperature 1RT
store temperature 2RT
store dryFalse
store under argonFalse
store in darkFalse
contributing authorWiggert D, Erban A, 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 out 
date expired 
box number27
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%2769a332b7-1377-410a-82d4-9c66248b8639%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)
    of 4    

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

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

reference substancesuppliersupplier codelot
Quinic acid, 3-caffeoyl-, E-Sefkow M, University of Potsdam, Institute of Organic Chemistry and Structure Analysis, Karl-Liebknecht-Strasse 24-25, D-14476 Golm, Germany  
Quinic acid, 3-caffeoyl-, E-AldrichC4420602110DC
Quinic acid, 3-caffeoyl-, E-Fluka25700394520/1
Quinic acid, 3-caffeoyl-, E-SigmaC3878054K1240
Quinic acid, 3-caffeoyl-, E-Fluka25700 
Quinic acid, 3-caffeoyl-, E-Wako033-14241 
6 reference substance(s)
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 9/25/2018 by Fehrle I., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Hummel J., Fehrle I.
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