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Details of Quinic acid, 5-caffeoyl-, E-

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Role	Metabolite
MPIMP ID	M000005
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-NXLLHMKUSA-N
class	Conjugate (Phenylpropanoyl, Quinic)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27656b3e48-4f1f-4fc8-a3b2-b0fadab84af5%27)

Synonyms of Quinic acid, 5-caffeoyl-, E-

property	value
BRENDA	7057
CAS	906-33-2
ChEBI ID	ChEBI:16384
ChEBI ontology	has functional parent (-)-quinic acid
ChEBI ontology	is a cyclitol carboxylic acid
ChEBI ontology	is conjugate acid of trans-5-O-caffeoyl-D-quinate
ChemSpider ID	4444237
MAPMAN	5-Caffeoylquinate
PubChem CID	5280633
PubChem SID	92298329
18 synonym(s)
Page of 2 Results per page:

Derivatives of Quinic acid, 5-caffeoyl-, E-

analyte	stereoisomer	isotopomer
Quinic acid, 5-caffeoyl-, trans- (6TMS)	E-	ambient
1 analyte(s)

Reference substances of Quinic acid, 5-caffeoyl-, E-

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of Quinic acid, 5-caffeoyl-, E-

metabolite	stereoisomer	isotopomer
Quinic acid, 5-caffeoyl-, Z-	Z-	ambient
Quinic acid, 5-caffeoyl-	EZ-	ambient
2 metabolite(s)

Quantitative Quinic acid, 5-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, 5-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 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., Hummel J.

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