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

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Role Metabolite
MPIMP IDM000003
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
classConjugate (Phenylpropanoyl, Quinic)
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2732cf6d13-8f08-485f-b79e-f8a6ac318e07%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)

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

Reference substances 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-SigmaL387856H7760
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 
7 reference substance(s)

Isotopomers and stereoisomers of Quinic acid, 3-caffeoyl-, E-

Quantitative Quinic acid, 3-caffeoyl-, E- 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.

Qualitative Quinic acid, 3-caffeoyl-, E- Profile Data

species
Arabidopsis thaliana.Col-0
this metabolite was recorded in 1 species
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 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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