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Details Quinic acid, 3-caffeoyl-, E-

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Role	Reference Substance
name	Quinic acid, 3-caffeoyl-, E-
MPIMP ID	R000126
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	394520/1
purity	98
solubility
general
amount	250
amount unit	G
store temperature 1	RT
store temperature 2	RT
store dry	False
store under argon	False
store in dark	False
contributing author	Wiggert 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 in	2004-08-26
date out
date expired
box number	2
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%2734a5137c-035e-428f-89d0-9d02ec425dcd%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-	Sigma	C3878	054K1240
Quinic acid, 3-caffeoyl-, E-	Fluka	25700
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

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