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Details of Scopolamine

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Role	Metabolite
MPIMP ID	M001072
stereoisomer
isotopomer	ambient
formula	C17H21NO4
molecular mass	303.354
monoisotopic mass	303.14706
InChI	InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
InChIKey	STECJAGHUSJQJN-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2781d34684-e0b2-4b3a-a36c-fb916bbc90f7%27)

Synonyms of Scopolamine

property	value
BRENDA	7858
ChEBI ID	ChEBI:111434
ChemSpider ID	4997
PubChem CID	5184
PubChem SID	92298706
synonym	(hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9-aza-tricyclo[3.3.1.02,4]non-7-yl ester
synonym	(S)-3-Hydroxy-2-phenyl-propionic acid (1S,2R,4S,5S,7R)-9-methyl-3-oxa-9-aza-tricyclo[3.3.1.02,4]non-7-yl ester
synonym	1-(3-(5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)-3-(2-phenoxyphenyl)urea
synonym	3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9-aza-tricyclo[3.3.1.02,4]non-7-yl ester
synonym	3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9-aza-tricyclo[3.3.1.02,4]non-7-yl ester(Scopolamine)
13 synonym(s)
Page of 2 Results per page:

Derivatives of Scopolamine

analyte	stereoisomer	isotopomer
Scopolamine [-H2O]		ambient
Scopolamine (1TMS)		ambient
2 analyte(s)

Reference substances of Scopolamine

reference substance	supplier	supplier code	lot
(-)-Scopolamine hydrochloride	Fluka	84786	1198944
(-)-Scopolamine hydrochloride	Fluka	84786	23704317
2 reference substance(s)

Isotopomers and stereoisomers of Scopolamine

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Scopolamine 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 Scopolamine Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 4/16/2009 by Strehmel N., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), 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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