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(Q105198767)
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Benzosimuline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
305.141578848
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₉NO₂
0 references
canonical SMILES
O=C1C2=C(OC(C3=CC=C(C=C32)C)(C)C)C=4C=CC=CC4N1C
0 references
found in taxon
Zanthoxylum simulans
5 references
stated in
Pyranoquinoline alkaloids from Zanthoxylum simulans
stated in
Pyranoquinoline alkaloids from Zanthoxylum simulans
stated in
Chemical and anti-platelet constituents from Formosan Zanthoxylum simulans.
stated in
Pyranoquinoline alkaloids from Zanthoxylum simulans
stated in
Pyranoquinoline alkaloids from Zanthoxylum simulans
Identifiers
InChI
InChI=1S/C20H19NO2/c1-12-9-10-15-14(11-12)17-18(23-20(15,2)3)13-7-5-6-8-16(13)21(4)19(17)22/h5-11H,1-4H3
0 references
InChIKey
OSBHLKXCNYMURI-UHFFFAOYSA-N
0 references
CAS Registry Number
198336-58-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5321951
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
31999912
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901145826
1 reference
matched by identifier from
InChIKey
InChIKey
OSBHLKXCNYMURI-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0031930
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OSBHLKXCNYMURI-UHFFFAOYSA-N
KNApSAcK ID
C00026405
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OSBHLKXCNYMURI-UHFFFAOYSA-N
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