GOLM METABOLOME DATABASE

- home
- search
- ms analysis
  - library search
  - prediction
- GoBioSpace
- blog
- thanks to
- publications
- imprint
- privacy policy
- contact
- help

The GMD web site use latest HTML5 features! This message indicates backward compatibility problems in GMD's mass spectra, chemical compound structure and metabolite profile visualizations. As your browser does not support the HTML5 <canvas> element, please consider to upgrade to a HTML5 ready web browser, including Microsoft Internet Explorer, Mozilla Firefox, Apple Safari, Google Chrome and Opera, to fully enjoy GMD's functionalities!

Details of Quinic acid, 4-caffeoyl-, E-

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Role	Metabolite
MPIMP ID	M000004
stereoisomer	E-
isotopomer	ambient
formula	C16H18O9
molecular mass	354.309
monoisotopic mass	354.09509
InChI	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
InChIKey	GYFFKZTYYAFCTR-JUHZACGLSA-N
class	Conjugate (Phenylpropanoyl, Quinic)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2749b68a4c-6ec9-4441-b7d7-e3b740a8cdec%27)

Synonyms of Quinic acid, 4-caffeoyl-, E-

property	value
CAS	87099-73-8
ChemSpider ID	22912773
MAPMAN	4-Caffeoylquinate
PubChem CID	9798666
PubChem SID	92298590
synonym	Cyclohexanecarboxylic acid, 4-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)-
synonym	Quinic acid, 4-caffeoyl-, E-
synonym	Quinic acid, 4-caffeoyl-, trans-
8 synonym(s)

Derivatives of Quinic acid, 4-caffeoyl-, E-

analyte	stereoisomer	isotopomer
Quinic acid, 4-caffeoyl-, trans- (6TMS)	E-	ambient
1 analyte(s)

Reference substances of Quinic acid, 4-caffeoyl-, E-

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of Quinic acid, 4-caffeoyl-, E-

metabolite	stereoisomer	isotopomer
Quinic acid, 4-caffeoyl-	EZ-	ambient
Quinic acid, 4-caffeoyl-, Z-	Z-	ambient
2 metabolite(s)

Quantitative Quinic acid, 4-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.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova F score
no metabolite profile(s) found.

Qualitative Quinic acid, 4-caffeoyl-, E- Profile Data

species
no qualitative metabolite profile data available!

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 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Strehmel N., Hummel J.

Show all metabolites

Top