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(Q104254448)
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tropanone
group of stereoisomers with the chemical formula C₈H₁₃NO
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No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
tropane alkaloids
1 reference
inferred from
tropane alkaloids
mass
139.099714036
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₃NO
0 references
canonical SMILES
O=C1CC2N(C)C(C1)CC2
0 references
found in taxon
Erythroxylum zambesiacum
1 reference
stated in
Alkaloids of Erythroxylum zambesiacum stem-bark☆
Erythroxylum monogynum
1 reference
stated in
Alkaloids of erythroxylum monogynum root-bark
Datura stramonium
3 references
stated in
Nine new tropane alkaloids from Datura stramonium L. identified by GC/MS
stated in
Alkaloid spectrum in diploid and tetraploid hairy root cultures of Datura stramonium.
stated in
Alkaloid patterns in some varieties of Datura stramonium
Atropa belladonna
3 references
stated in
Reinvestigation of the Alkaloid Composition of Atropa belladonna Plants, Root Cultures, and Cell Suspension Cultures
stated in
Feeding Experiments with Precursors of Tropane Alkaloids Using Suspension Cultures of Atropa belladonna.
stated in
Reinvestigation of the Alkaloid Composition of Atropa belladonna Plants, Root Cultures and Suspension Cultures
Convolvulus arvensis
1 reference
stated in
Tropane alkaloids and toxicity of Convolvulus arvensis
Datura candida
1 reference
stated in
Tropane alkaloid production in transformed root cultures of brugmansia Candida
Datura quercifolia
1 reference
stated in
Tropane Alkaloids in Transformed Roots of Datura quercifolia
Duboisia myoporoides
1 reference
stated in
Effects of Oxygen on Nicotine and Tropane Alkaloid Production in Cultured RootsDuboisia myoporoides
Erythroxylum coca
1 reference
stated in
Alkaloid content in Erythroxylum coca tissue during reproductive development
Hyoscyamus albus
2 references
stated in
Identification of Tropane Alkaloids in Hairy Root Cultures of Hyoscyamus albus
stated in
Incorporation of 1- 13C-Acetate into tropane alkaloids by hairy root cultures of Hyoscyamus albus
Brugmansia arborea
1 reference
stated in
Tropane alkaloid production in transformed root cultures of brugmansia Candida
Identifiers
InChI
InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3
0 references
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
0 references
CAS Registry Number
532-24-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
79038
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL113383
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
UniChem compound ID
1070672
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_ReSpect-PS063501
1 reference
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS063502
1 reference
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS063503
1 reference
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS063504
1 reference
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS063505
1 reference
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS063506
1 reference
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
NMRShiftDB structure ID
10022547
1 reference
matched by identifier from
InChIKey
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
DSSTox substance ID
DTXSID30862133
1 reference
matched by identifier from
InChIKey
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0304521
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
Probes And Drugs ID
PD098229
0 references
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