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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	R001801
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	Wako
supplier code	033-14241
lot
purity
solubility
general
amount
amount unit
store temperature 1
store temperature 2
store dry
store under argon
store in dark
contributing author	Tohge, RIKEN Plant Service Center, Metabolome Analysis Research Team, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa, 230-0045, JAPAN
date of order
date in
date out
date expired
box number
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%27cf09ee6b-b2a4-4138-80f4-e1a2154b26b1%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-	Fluka	25700
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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