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(Q82112548)
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English
4-(3-Aminophenyl)-2-methyl-4-oxobutanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
207.089543276
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₃NO₃
0 references
canonical SMILES
O=C(O)C(C)CC(=O)C=1C=CC=C(N)C1
0 references
found in taxon
Siraitia grosvenorii
1 reference
stated in
Analysis of volatile compounds from Siraitia grosvenorii by headspace solid-phase microextraction and gas chromatography-quadrupole time-of-flight mass spectrometry
Identifiers
InChI
InChI=1S/C11H13NO3/c1-7(11(14)15)5-10(13)8-3-2-4-9(12)6-8/h2-4,6-7H,5,12H2,1H3,(H,14,15)
0 references
InChIKey
DTSNXCOYNWGRNW-UHFFFAOYSA-N
0 references
CAS Registry Number
34270-86-5
0 references
PubChem CID
577816
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
DTSNXCOYNWGRNW-UHFFFAOYSA-N
UniChem compound ID
24206536
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90342022
1 reference
matched by identifier from
InChIKey
InChIKey
DTSNXCOYNWGRNW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50293102
0 references
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