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(Q104403037)
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English
Huajiaosimuline
group of stereoisomers with the chemical formula C₂₀H₂₃NO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,6-dimethyloctane monoterpenoid
1 reference
inferred from
2,6-dimethyloctane monoterpenoid
alkaloid
1 reference
inferred from
alkaloid
mass
325.4023
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₃NO₃
0 references
canonical SMILES
O=C1C=2C=CC(OC2C=3C=CC=CC3N1C)(C)CCC(=O)C(C)C
0 references
found in taxon
Zanthoxylum simulans
2 references
stated in
Chemical and bioactive constituents from Zanthoxylum simulans
stated in
Pyranoquinoline alkaloids from Zanthoxylum simulans
Identifiers
InChI
InChI=1S/C20H23NO3/c1-13(2)17(22)10-12-20(3)11-9-15-18(24-20)14-7-5-6-8-16(14)21(4)19(15)23/h5-9,11,13H,10,12H2,1-4H3
0 references
InChIKey
NYATVLNHGXEKDI-UHFFFAOYSA-N
0 references
CAS Registry Number
155416-21-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5318093
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NYATVLNHGXEKDI-UHFFFAOYSA-N
UniChem compound ID
32024198
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801132016
1 reference
matched by identifier from
InChIKey
InChIKey
NYATVLNHGXEKDI-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0040369
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NYATVLNHGXEKDI-UHFFFAOYSA-N
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