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 Quinic acid, 3-caffeoyl-, E-

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

Role	Reference Substance
name	Quinic acid, 3-caffeoyl-, E-
MPIMP ID	R100160
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(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
InChIKey	CWVRJTMFETXNAD-JUHZACGLSA-N
supplier	Fluka
supplier code	25700
lot
purity
solubility
general
amount
amount unit
store temperature 1
store temperature 2
store dry	False
store under argon	False
store in dark	False
contributing author	Kopka 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 in	2004-08-26
date out	2005-09-01
date expired
box number
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%27eb710062-9e52-4902-8ca9-dc467256c31c%27)

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

property	value
BRENDA	7056
CAS	202650-88-2
CAS	327-97-9
CAS	6001-76-9
ChEBI ID	ChEBI:16112
ChEBI ontology	is a tannin
ChEBI ontology	is conjugate acid of chlorogenate
ChemSpider ID	1405788
MAPMAN	Chlorogenate
PubChem CID	1794427
34 synonym(s)
Page of 4 Results per page:

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

metabolite	stereoisomer	isotopomer
Quinic acid, 3-caffeoyl-, E-	E-	ambient
Quinic acid, 3-caffeoyl-, Z-	Z-	ambient
2 metabolite(s)

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

reference substance	supplier	supplier code	lot
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-	Aldrich	C44206	02110DC
Quinic acid, 3-caffeoyl-, E-	Sigma	L3878	56H7760
Quinic acid, 3-caffeoyl-, E-	Fluka	25700	394520/1
Quinic acid, 3-caffeoyl-, E-	Sigma	C3878	054K1240
Quinic acid, 3-caffeoyl-, E-	Wako	033-14241
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.

Show all reference substances

Top