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(Q105129766)
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English
aposcopolamine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[(1R,2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate
1 reference
based on heuristic
inferred from SMILES
[(1S,2R,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate
1 reference
based on heuristic
inferred from SMILES
alpha-Methylenebenzeneacetic acid
1 reference
based on heuristic
inferred from SMILES
mass
285.136493468
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₉NO₃
0 references
canonical SMILES
O=C(OC1CC2N(C)C(C1)C3OC32)C(=C)C=4C=CC=CC4
0 references
isomeric SMILES
C=C(C(=O)O[C@H]1C[C@H]2[C@@H]3O[C@@H]3[C@@H](C1)N2C)c1ccccc1
0 references
found in taxon
Mandragora turcomanica
1 reference
stated in
Substances isolated from Mandragora species
Physochlaina alaica
2 references
stated in
Physochlaine — A new alkaloid from Physochlaina alaica
stated in
Alkaloids of Physochlaina alaica
Datura innoxia
2 references
stated in
Phytochemical investigation of Datura innoxia
stated in
Datura leichhardtii Muell. ex Benth. V. Alkaloidal constituents of the cross D. leichhardtii x D. innoxia
Datura inoxia
2 references
stated in
Phytochemical investigation of Datura innoxia
stated in
Datura leichhardtii Muell. ex Benth. V. Alkaloidal constituents of the cross D. leichhardtii x D. innoxia
Datura leichhardtii
1 reference
stated in
Datura leichhardtii Muell. ex Benth. V. Alkaloidal constituents of the cross D. leichhardtii x D. innoxia
Duboisia myoporoides
1 reference
stated in
The alkaloids of Duboisia myoporoides. II. Roots
Hyoscyamus pusillus
1 reference
stated in
Alkaloids ofHyoscyamus pusillus
Mandragora officinarum
1 reference
stated in
Substances isolated from Mandragora species
Identifiers
InChI
InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13-,14+,15-,16+
0 references
InChIKey
JJNVDCBKBUSUII-JGPUMOJJSA-N
0 references
CAS Registry Number
535-26-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
DSSTox substance ID
DTXSID901045591
1 reference
matched by identifier from
InChIKey
InChIKey
JJNVDCBKBUSUII-JGPUMOJJSA-N
UNII
RQ98RV32RG
1 reference
matched by identifier from
InChIKey
InChIKey
JJNVDCBKBUSUII-JGPUMOJJSA-N
Probes And Drugs ID
PD164128
0 references
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