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(Q82437398)
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1-(5-Acetyl-2-methoxyphenyl)-3-methylbut-2-en-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
232.109944372
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₆O₃
0 references
canonical SMILES
O=C(C=C(C)C)C1=CC(=CC=C1OC)C(=O)C
0 references
found in taxon
Espeletia schultzii
1 reference
stated in
Neue Hydroxyacetophenon-Derivate ausEspeletia schultzii Wedd.
Artemisia glutinosa
2 references
stated in
Phenolic derivatives from Artemisia glutinosa
stated in
2-Methyl-2-hydroxymethylchromenes from Artemisia campestris subsp. glutinosa
Identifiers
InChI
InChI=1S/C14H16O3/c1-9(2)7-13(16)12-8-11(10(3)15)5-6-14(12)17-4/h5-8H,1-4H3
0 references
InChIKey
ZHHUKOQYRGQWAS-UHFFFAOYSA-N
0 references
CAS Registry Number
88076-21-5
0 references
PubChem CID
14104352
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZHHUKOQYRGQWAS-UHFFFAOYSA-N
UniChem compound ID
62448085
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20555941
1 reference
matched by identifier from
InChIKey
InChIKey
ZHHUKOQYRGQWAS-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50506724
0 references
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