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(Q105219262)
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English
Simulenoline
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
325.167793596
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)CC=CC(O)(C)C
0 references
isomeric SMILES
Cn1c(=O)c2c(c3ccccc31)OC(C)(C/C=C/C(C)(C)O)C=C2
1 reference
based on heuristic
inferred from InChI
found in taxon
Zanthoxylum simulans
1 reference
stated in
Alkaloids from Zanthoxylum simulans
Identifiers
InChI
InChI=1S/C20H23NO3/c1-19(2,23)11-7-12-20(3)13-10-15-17(24-20)14-8-5-6-9-16(14)21(4)18(15)22/h5-11,13,23H,12H2,1-4H3/b11-7+
0 references
InChIKey
QEKDXAXUTISDJG-YRNVUSSQSA-N
0 references
PubChem CID
5321316
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QEKDXAXUTISDJG-YRNVUSSQSA-N
UniChem compound ID
32014151
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0031997
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QEKDXAXUTISDJG-YRNVUSSQSA-N
KNApSAcK ID
C00058000
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QEKDXAXUTISDJG-YRNVUSSQSA-N
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